USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 SER OG : rot -122:sc= 0.381 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -1.02 X(o=-0.95,f=-1.1) USER MOD Set 1.3: A 65 MET CE :methyl -123:sc= -0.313 (180deg=-2.82!) USER MOD Set 2.1: A 56 LYS NZ :NH3+ 149:sc= -0.123 (180deg=-2.36!) USER MOD Set 2.2: A 61 CYS SG : rot 150:sc= -0.413 USER MOD Set 3.1: A 55 TYR OH : rot -80:sc= -0.949 USER MOD Set 3.2: A 62 CYS SG : rot 154:sc= -1.39 USER MOD Set 4.1: A 54 SER OG : rot -134:sc= 0.377 USER MOD Set 4.2: A 63 HIS : no HD1:sc= -1.69 X(o=-1.3,f=-1.4) USER MOD Set 5.1: A 20 HIS : no HE2:sc= -7.06! C(o=-7.6!,f=-9.8!) USER MOD Set 5.2: A 109 CYS SG : rot 160:sc= -0.563 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.287 K(o=-0.29,f=-3.5!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.154 K(o=-0.15,f=-2!) USER MOD Single : A 34 SER OG : rot -54:sc=0.000885 USER MOD Single : A 35 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.16) USER MOD Single : A 39 SER OG : rot 102:sc= 0.152 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.9 F(o=-2.6!,f=-1.9) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0591 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 75 MET CE :methyl 159:sc= -2.68! (180deg=-3.11!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -5.42! C(o=-6.1!,f=-5.4!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 5:sc= 0.177 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -4.55! C(o=-4.6!,f=-4.9!) USER MOD Single : A 94 GLN : amide:sc= -0.778 K(o=-0.78,f=-3.3!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -1.28! USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= -3.62! C(o=-3.6!,f=-4.1!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.608 34.960 -20.513 1.00 0.00 N ATOM 2 CA GLY A 1 7.173 33.820 -21.300 1.00 0.00 C ATOM 3 C GLY A 1 6.054 33.047 -20.632 1.00 0.00 C ATOM 4 O GLY A 1 4.937 32.988 -21.147 1.00 0.00 O ATOM 0 H1 GLY A 1 8.374 35.455 -21.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.809 35.611 -20.373 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.953 34.632 -19.588 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.839 34.164 -22.279 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.020 33.155 -21.469 1.00 0.00 H new ATOM 8 N SER A 2 6.353 32.451 -19.483 1.00 0.00 N ATOM 9 CA SER A 2 5.365 31.671 -18.746 1.00 0.00 C ATOM 10 C SER A 2 4.503 30.847 -19.698 1.00 0.00 C ATOM 11 O SER A 2 3.275 30.854 -19.605 1.00 0.00 O ATOM 12 CB SER A 2 4.479 32.594 -17.908 1.00 0.00 C ATOM 13 OG SER A 2 4.005 31.932 -16.748 1.00 0.00 O ATOM 0 H SER A 2 7.272 32.493 -19.042 1.00 0.00 H new ATOM 0 HA SER A 2 5.897 30.989 -18.083 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.043 33.481 -17.619 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.634 32.934 -18.507 1.00 0.00 H new ATOM 0 HG SER A 2 3.443 32.544 -16.229 1.00 0.00 H new ATOM 19 N SER A 3 5.156 30.138 -20.613 1.00 0.00 N ATOM 20 CA SER A 3 4.450 29.310 -21.585 1.00 0.00 C ATOM 21 C SER A 3 4.609 27.830 -21.255 1.00 0.00 C ATOM 22 O SER A 3 5.505 27.160 -21.769 1.00 0.00 O ATOM 23 CB SER A 3 4.972 29.589 -22.996 1.00 0.00 C ATOM 24 OG SER A 3 4.299 28.790 -23.955 1.00 0.00 O ATOM 0 H SER A 3 6.172 30.120 -20.702 1.00 0.00 H new ATOM 0 HA SER A 3 3.390 29.562 -21.540 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.836 30.643 -23.236 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.043 29.389 -23.038 1.00 0.00 H new ATOM 0 HG SER A 3 4.649 28.987 -24.849 1.00 0.00 H new ATOM 30 N GLY A 4 3.732 27.324 -20.393 1.00 0.00 N ATOM 31 CA GLY A 4 3.792 25.926 -20.008 1.00 0.00 C ATOM 32 C GLY A 4 3.568 24.992 -21.181 1.00 0.00 C ATOM 33 O GLY A 4 3.667 25.401 -22.337 1.00 0.00 O ATOM 0 H GLY A 4 2.981 27.857 -19.955 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.764 25.717 -19.561 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.041 25.730 -19.243 1.00 0.00 H new ATOM 37 N SER A 5 3.267 23.732 -20.882 1.00 0.00 N ATOM 38 CA SER A 5 3.033 22.736 -21.921 1.00 0.00 C ATOM 39 C SER A 5 1.906 21.788 -21.522 1.00 0.00 C ATOM 40 O SER A 5 1.792 21.395 -20.360 1.00 0.00 O ATOM 41 CB SER A 5 4.312 21.939 -22.190 1.00 0.00 C ATOM 42 OG SER A 5 5.284 22.741 -22.838 1.00 0.00 O ATOM 0 H SER A 5 3.180 23.377 -19.930 1.00 0.00 H new ATOM 0 HA SER A 5 2.740 23.259 -22.831 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.714 21.562 -21.250 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.081 21.071 -22.808 1.00 0.00 H new ATOM 0 HG SER A 5 6.092 22.210 -22.998 1.00 0.00 H new ATOM 48 N SER A 6 1.074 21.426 -22.493 1.00 0.00 N ATOM 49 CA SER A 6 -0.048 20.528 -22.244 1.00 0.00 C ATOM 50 C SER A 6 -0.011 19.336 -23.196 1.00 0.00 C ATOM 51 O SER A 6 -0.140 19.492 -24.409 1.00 0.00 O ATOM 52 CB SER A 6 -1.372 21.278 -22.397 1.00 0.00 C ATOM 53 OG SER A 6 -2.446 20.534 -21.848 1.00 0.00 O ATOM 0 H SER A 6 1.156 21.741 -23.460 1.00 0.00 H new ATOM 0 HA SER A 6 0.034 20.157 -21.222 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.305 22.246 -21.900 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.563 21.474 -23.452 1.00 0.00 H new ATOM 0 HG SER A 6 -3.281 21.036 -21.957 1.00 0.00 H new ATOM 59 N GLY A 7 0.165 18.143 -22.635 1.00 0.00 N ATOM 60 CA GLY A 7 0.215 16.942 -23.447 1.00 0.00 C ATOM 61 C GLY A 7 -0.734 15.869 -22.953 1.00 0.00 C ATOM 62 O GLY A 7 -1.385 16.032 -21.922 1.00 0.00 O ATOM 0 H GLY A 7 0.274 17.988 -21.633 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.031 17.194 -24.478 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.232 16.550 -23.449 1.00 0.00 H new ATOM 66 N GLY A 8 -0.814 14.766 -23.692 1.00 0.00 N ATOM 67 CA GLY A 8 -1.695 13.678 -23.308 1.00 0.00 C ATOM 68 C GLY A 8 -2.101 12.817 -24.488 1.00 0.00 C ATOM 69 O GLY A 8 -2.697 13.309 -25.446 1.00 0.00 O ATOM 0 H GLY A 8 -0.285 14.607 -24.549 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.197 13.057 -22.563 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.588 14.087 -22.836 1.00 0.00 H new ATOM 73 N GLN A 9 -1.777 11.530 -24.418 1.00 0.00 N ATOM 74 CA GLN A 9 -2.110 10.600 -25.490 1.00 0.00 C ATOM 75 C GLN A 9 -3.436 9.900 -25.212 1.00 0.00 C ATOM 76 O GLN A 9 -3.476 8.862 -24.551 1.00 0.00 O ATOM 77 CB GLN A 9 -0.998 9.562 -25.658 1.00 0.00 C ATOM 78 CG GLN A 9 0.262 10.119 -26.300 1.00 0.00 C ATOM 79 CD GLN A 9 1.156 10.835 -25.307 1.00 0.00 C ATOM 80 OE1 GLN A 9 0.928 10.781 -24.098 1.00 0.00 O ATOM 81 NE2 GLN A 9 2.182 11.509 -25.812 1.00 0.00 N ATOM 0 H GLN A 9 -1.285 11.108 -23.631 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.208 11.171 -26.413 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.746 9.150 -24.681 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.371 8.737 -26.265 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.819 9.305 -26.763 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.015 10.809 -27.097 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.334 11.527 -26.821 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.819 12.009 -25.192 1.00 0.00 H new ATOM 90 N LEU A 10 -4.520 10.476 -25.719 1.00 0.00 N ATOM 91 CA LEU A 10 -5.850 9.908 -25.524 1.00 0.00 C ATOM 92 C LEU A 10 -5.921 8.487 -26.074 1.00 0.00 C ATOM 93 O LEU A 10 -5.663 8.253 -27.253 1.00 0.00 O ATOM 94 CB LEU A 10 -6.904 10.783 -26.206 1.00 0.00 C ATOM 95 CG LEU A 10 -8.295 10.779 -25.568 1.00 0.00 C ATOM 96 CD1 LEU A 10 -9.107 11.970 -26.051 1.00 0.00 C ATOM 97 CD2 LEU A 10 -9.019 9.477 -25.878 1.00 0.00 C ATOM 0 H LEU A 10 -4.505 11.336 -26.268 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.051 9.874 -24.453 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.538 11.810 -26.225 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.001 10.460 -27.242 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.179 10.859 -24.487 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.093 11.950 -25.587 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.596 12.893 -25.779 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.215 11.921 -27.135 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.006 9.491 -25.417 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.124 9.367 -26.957 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.446 8.639 -25.482 1.00 0.00 H new ATOM 109 N ALA A 11 -6.274 7.541 -25.209 1.00 0.00 N ATOM 110 CA ALA A 11 -6.383 6.143 -25.608 1.00 0.00 C ATOM 111 C ALA A 11 -7.501 5.441 -24.846 1.00 0.00 C ATOM 112 O ALA A 11 -8.172 6.048 -24.011 1.00 0.00 O ATOM 113 CB ALA A 11 -5.060 5.427 -25.386 1.00 0.00 C ATOM 0 H ALA A 11 -6.489 7.718 -24.228 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.627 6.111 -26.670 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.156 4.384 -25.688 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.282 5.907 -25.980 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.792 5.476 -24.330 1.00 0.00 H new ATOM 119 N GLN A 12 -7.697 4.160 -25.140 1.00 0.00 N ATOM 120 CA GLN A 12 -8.737 3.376 -24.483 1.00 0.00 C ATOM 121 C GLN A 12 -8.157 2.558 -23.333 1.00 0.00 C ATOM 122 O GLN A 12 -7.452 1.572 -23.554 1.00 0.00 O ATOM 123 CB GLN A 12 -9.420 2.448 -25.490 1.00 0.00 C ATOM 124 CG GLN A 12 -10.356 3.172 -26.444 1.00 0.00 C ATOM 125 CD GLN A 12 -10.719 2.334 -27.654 1.00 0.00 C ATOM 126 OE1 GLN A 12 -9.869 2.039 -28.496 1.00 0.00 O ATOM 127 NE2 GLN A 12 -11.985 1.945 -27.748 1.00 0.00 N ATOM 0 H GLN A 12 -7.150 3.643 -25.828 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.476 4.067 -24.078 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.657 1.927 -26.068 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.983 1.688 -24.948 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.266 3.450 -25.913 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.886 4.098 -26.776 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.656 2.212 -27.027 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.287 1.379 -28.541 1.00 0.00 H new ATOM 136 N ASP A 13 -8.457 2.973 -22.108 1.00 0.00 N ATOM 137 CA ASP A 13 -7.965 2.278 -20.924 1.00 0.00 C ATOM 138 C ASP A 13 -9.020 2.272 -19.821 1.00 0.00 C ATOM 139 O ASP A 13 -10.019 2.985 -19.900 1.00 0.00 O ATOM 140 CB ASP A 13 -6.682 2.937 -20.415 1.00 0.00 C ATOM 141 CG ASP A 13 -5.486 2.627 -21.293 1.00 0.00 C ATOM 142 OD1 ASP A 13 -5.465 1.540 -21.907 1.00 0.00 O ATOM 143 OD2 ASP A 13 -4.568 3.472 -21.367 1.00 0.00 O ATOM 0 H ASP A 13 -9.038 3.787 -21.908 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.748 1.247 -21.202 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.825 4.017 -20.368 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.481 2.598 -19.399 1.00 0.00 H new ATOM 148 N GLY A 14 -8.789 1.461 -18.793 1.00 0.00 N ATOM 149 CA GLY A 14 -9.728 1.377 -17.690 1.00 0.00 C ATOM 150 C GLY A 14 -9.049 1.495 -16.339 1.00 0.00 C ATOM 151 O GLY A 14 -9.497 0.903 -15.357 1.00 0.00 O ATOM 0 H GLY A 14 -7.969 0.861 -18.705 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.472 2.167 -17.789 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.262 0.428 -17.743 1.00 0.00 H new ATOM 155 N VAL A 15 -7.964 2.262 -16.290 1.00 0.00 N ATOM 156 CA VAL A 15 -7.221 2.456 -15.051 1.00 0.00 C ATOM 157 C VAL A 15 -6.921 3.932 -14.816 1.00 0.00 C ATOM 158 O VAL A 15 -6.515 4.661 -15.723 1.00 0.00 O ATOM 159 CB VAL A 15 -5.897 1.669 -15.061 1.00 0.00 C ATOM 160 CG1 VAL A 15 -4.950 2.230 -16.110 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.254 1.692 -13.682 1.00 0.00 C ATOM 0 H VAL A 15 -7.580 2.759 -17.094 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.850 2.083 -14.243 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.112 0.632 -15.319 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.020 1.661 -16.102 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.412 2.156 -17.094 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.738 3.276 -15.887 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.320 1.131 -13.707 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.051 2.723 -13.392 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.930 1.238 -12.958 1.00 0.00 H new ATOM 171 N PRO A 16 -7.121 4.386 -13.570 1.00 0.00 N ATOM 172 CA PRO A 16 -6.876 5.779 -13.186 1.00 0.00 C ATOM 173 C PRO A 16 -5.392 6.126 -13.178 1.00 0.00 C ATOM 174 O PRO A 16 -4.549 5.294 -13.512 1.00 0.00 O ATOM 175 CB PRO A 16 -7.453 5.864 -11.770 1.00 0.00 C ATOM 176 CG PRO A 16 -7.387 4.469 -11.251 1.00 0.00 C ATOM 177 CD PRO A 16 -7.602 3.574 -12.440 1.00 0.00 C ATOM 0 HA PRO A 16 -7.328 6.480 -13.888 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.875 6.546 -11.147 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.478 6.234 -11.782 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.422 4.272 -10.784 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.150 4.299 -10.491 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.043 2.643 -12.348 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.652 3.306 -12.556 1.00 0.00 H new ATOM 185 N GLU A 17 -5.079 7.360 -12.793 1.00 0.00 N ATOM 186 CA GLU A 17 -3.695 7.815 -12.742 1.00 0.00 C ATOM 187 C GLU A 17 -3.094 7.578 -11.360 1.00 0.00 C ATOM 188 O GLU A 17 -1.937 7.177 -11.234 1.00 0.00 O ATOM 189 CB GLU A 17 -3.609 9.301 -13.099 1.00 0.00 C ATOM 190 CG GLU A 17 -4.759 10.126 -12.546 1.00 0.00 C ATOM 191 CD GLU A 17 -5.934 10.205 -13.501 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.709 10.113 -14.726 1.00 0.00 O ATOM 193 OE2 GLU A 17 -7.077 10.358 -13.024 1.00 0.00 O ATOM 0 H GLU A 17 -5.765 8.061 -12.512 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.124 7.240 -13.471 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.669 9.703 -12.721 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.587 9.405 -14.184 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.091 9.693 -11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.406 11.134 -12.327 1.00 0.00 H new ATOM 200 N TRP A 18 -3.888 7.829 -10.326 1.00 0.00 N ATOM 201 CA TRP A 18 -3.436 7.644 -8.951 1.00 0.00 C ATOM 202 C TRP A 18 -3.072 6.187 -8.690 1.00 0.00 C ATOM 203 O TRP A 18 -2.451 5.864 -7.677 1.00 0.00 O ATOM 204 CB TRP A 18 -4.518 8.097 -7.971 1.00 0.00 C ATOM 205 CG TRP A 18 -5.872 7.528 -8.275 1.00 0.00 C ATOM 206 CD1 TRP A 18 -6.876 8.132 -8.976 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.368 6.243 -7.887 1.00 0.00 C ATOM 208 NE1 TRP A 18 -7.967 7.300 -9.046 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.681 6.134 -8.387 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.831 5.171 -7.167 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.461 4.999 -8.188 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.607 4.045 -6.970 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.910 3.966 -7.480 1.00 0.00 C ATOM 0 H TRP A 18 -4.848 8.161 -10.413 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.545 8.254 -8.802 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.228 7.806 -6.961 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.578 9.185 -7.985 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.821 9.119 -9.411 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.848 7.516 -9.513 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.827 5.222 -6.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.466 4.936 -8.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.203 3.212 -6.414 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.491 3.071 -7.311 1.00 0.00 H new ATOM 224 N PHE A 19 -3.465 5.309 -9.609 1.00 0.00 N ATOM 225 CA PHE A 19 -3.181 3.885 -9.475 1.00 0.00 C ATOM 226 C PHE A 19 -1.919 3.508 -10.245 1.00 0.00 C ATOM 227 O PHE A 19 -1.989 3.025 -11.377 1.00 0.00 O ATOM 228 CB PHE A 19 -4.365 3.058 -9.979 1.00 0.00 C ATOM 229 CG PHE A 19 -4.199 1.581 -9.764 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.342 1.031 -8.500 1.00 0.00 C ATOM 231 CD2 PHE A 19 -3.903 0.742 -10.826 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.189 -0.328 -8.301 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.749 -0.617 -10.632 1.00 0.00 C ATOM 234 CZ PHE A 19 -3.893 -1.153 -9.368 1.00 0.00 C ATOM 0 H PHE A 19 -3.980 5.559 -10.453 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.019 3.670 -8.419 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.272 3.391 -9.474 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.504 3.249 -11.043 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.575 1.671 -7.662 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.791 1.155 -11.817 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.301 -0.745 -7.311 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.516 -1.259 -11.468 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.774 -2.215 -9.214 1.00 0.00 H new ATOM 244 N HIS A 20 -0.765 3.733 -9.626 1.00 0.00 N ATOM 245 CA HIS A 20 0.514 3.417 -10.252 1.00 0.00 C ATOM 246 C HIS A 20 0.743 1.909 -10.290 1.00 0.00 C ATOM 247 O HIS A 20 1.560 1.415 -11.066 1.00 0.00 O ATOM 248 CB HIS A 20 1.657 4.099 -9.499 1.00 0.00 C ATOM 249 CG HIS A 20 1.483 5.581 -9.360 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.301 6.497 -9.988 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.576 6.305 -8.663 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.907 7.719 -9.680 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.861 7.631 -8.877 1.00 0.00 N ATOM 0 H HIS A 20 -0.689 4.133 -8.691 1.00 0.00 H new ATOM 0 HA HIS A 20 0.490 3.789 -11.276 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.742 3.657 -8.506 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.594 3.899 -10.019 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.087 6.266 -10.595 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.223 5.912 -8.052 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.362 8.635 -10.026 1.00 0.00 H new ATOM 261 N GLY A 21 0.017 1.184 -9.445 1.00 0.00 N ATOM 262 CA GLY A 21 0.156 -0.260 -9.398 1.00 0.00 C ATOM 263 C GLY A 21 1.095 -0.717 -8.299 1.00 0.00 C ATOM 264 O GLY A 21 0.982 -0.278 -7.155 1.00 0.00 O ATOM 0 H GLY A 21 -0.665 1.570 -8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.824 -0.711 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.525 -0.618 -10.359 1.00 0.00 H new ATOM 268 N ALA A 22 2.026 -1.599 -8.647 1.00 0.00 N ATOM 269 CA ALA A 22 2.989 -2.115 -7.682 1.00 0.00 C ATOM 270 C ALA A 22 4.249 -1.257 -7.652 1.00 0.00 C ATOM 271 O ALA A 22 5.162 -1.451 -8.456 1.00 0.00 O ATOM 272 CB ALA A 22 3.338 -3.559 -8.007 1.00 0.00 C ATOM 0 H ALA A 22 2.134 -1.971 -9.591 1.00 0.00 H new ATOM 0 HA ALA A 22 2.532 -2.077 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.058 -3.932 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.435 -4.169 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.771 -3.613 -9.006 1.00 0.00 H new ATOM 278 N ILE A 23 4.292 -0.309 -6.722 1.00 0.00 N ATOM 279 CA ILE A 23 5.441 0.578 -6.589 1.00 0.00 C ATOM 280 C ILE A 23 6.066 0.462 -5.203 1.00 0.00 C ATOM 281 O ILE A 23 5.435 -0.023 -4.264 1.00 0.00 O ATOM 282 CB ILE A 23 5.052 2.046 -6.843 1.00 0.00 C ATOM 283 CG1 ILE A 23 4.038 2.517 -5.798 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.487 2.208 -8.247 1.00 0.00 C ATOM 285 CD1 ILE A 23 3.890 4.020 -5.735 1.00 0.00 C ATOM 0 H ILE A 23 3.545 -0.135 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 23 6.167 0.269 -7.340 1.00 0.00 H new ATOM 0 HB ILE A 23 5.946 2.663 -6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.067 2.073 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.341 2.148 -4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.216 3.251 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.238 1.908 -8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.602 1.582 -8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.156 4.282 -4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.850 4.470 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.557 4.394 -6.703 1.00 0.00 H new ATOM 297 N SER A 24 7.310 0.915 -5.081 1.00 0.00 N ATOM 298 CA SER A 24 8.022 0.861 -3.809 1.00 0.00 C ATOM 299 C SER A 24 8.053 2.234 -3.146 1.00 0.00 C ATOM 300 O SER A 24 7.870 3.258 -3.804 1.00 0.00 O ATOM 301 CB SER A 24 9.449 0.352 -4.021 1.00 0.00 C ATOM 302 OG SER A 24 9.913 -0.354 -2.883 1.00 0.00 O ATOM 0 H SER A 24 7.845 1.323 -5.847 1.00 0.00 H new ATOM 0 HA SER A 24 7.492 0.171 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.480 -0.299 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.112 1.193 -4.226 1.00 0.00 H new ATOM 0 HG SER A 24 10.826 -0.670 -3.044 1.00 0.00 H new ATOM 308 N ARG A 25 8.287 2.247 -1.837 1.00 0.00 N ATOM 309 CA ARG A 25 8.342 3.493 -1.083 1.00 0.00 C ATOM 310 C ARG A 25 9.058 4.580 -1.879 1.00 0.00 C ATOM 311 O ARG A 25 8.565 5.700 -2.002 1.00 0.00 O ATOM 312 CB ARG A 25 9.051 3.274 0.255 1.00 0.00 C ATOM 313 CG ARG A 25 9.277 4.555 1.041 1.00 0.00 C ATOM 314 CD ARG A 25 7.961 5.188 1.467 1.00 0.00 C ATOM 315 NE ARG A 25 7.489 4.659 2.744 1.00 0.00 N ATOM 316 CZ ARG A 25 8.047 4.954 3.914 1.00 0.00 C ATOM 317 NH1 ARG A 25 9.092 5.768 3.966 1.00 0.00 N ATOM 318 NH2 ARG A 25 7.560 4.434 5.033 1.00 0.00 N ATOM 0 H ARG A 25 8.441 1.408 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 25 7.319 3.819 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.462 2.585 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.013 2.795 0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.881 4.340 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.842 5.262 0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.087 6.268 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.208 5.010 0.700 1.00 0.00 H new ATOM 0 HE ARG A 25 6.687 4.029 2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.469 6.169 3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.519 5.993 4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.756 3.807 4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.989 4.661 5.930 1.00 0.00 H new ATOM 332 N GLU A 26 10.226 4.240 -2.417 1.00 0.00 N ATOM 333 CA GLU A 26 11.011 5.187 -3.199 1.00 0.00 C ATOM 334 C GLU A 26 10.223 5.676 -4.412 1.00 0.00 C ATOM 335 O GLU A 26 10.254 6.859 -4.750 1.00 0.00 O ATOM 336 CB GLU A 26 12.321 4.543 -3.655 1.00 0.00 C ATOM 337 CG GLU A 26 12.129 3.243 -4.416 1.00 0.00 C ATOM 338 CD GLU A 26 13.443 2.599 -4.812 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.357 3.332 -5.244 1.00 0.00 O ATOM 340 OE2 GLU A 26 13.558 1.361 -4.691 1.00 0.00 O ATOM 0 H GLU A 26 10.648 3.316 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 26 11.237 6.044 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.861 5.248 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.946 4.354 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.559 2.547 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.538 3.435 -5.312 1.00 0.00 H new ATOM 347 N ASP A 27 9.517 4.756 -5.061 1.00 0.00 N ATOM 348 CA ASP A 27 8.721 5.092 -6.235 1.00 0.00 C ATOM 349 C ASP A 27 7.644 6.114 -5.887 1.00 0.00 C ATOM 350 O ASP A 27 7.576 7.188 -6.485 1.00 0.00 O ATOM 351 CB ASP A 27 8.077 3.833 -6.818 1.00 0.00 C ATOM 352 CG ASP A 27 9.023 3.062 -7.718 1.00 0.00 C ATOM 353 OD1 ASP A 27 9.551 3.663 -8.676 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.235 1.858 -7.464 1.00 0.00 O ATOM 0 H ASP A 27 9.480 3.772 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 27 9.385 5.530 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.747 3.187 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.188 4.112 -7.384 1.00 0.00 H new ATOM 359 N ALA A 28 6.802 5.773 -4.917 1.00 0.00 N ATOM 360 CA ALA A 28 5.729 6.661 -4.489 1.00 0.00 C ATOM 361 C ALA A 28 6.268 8.043 -4.136 1.00 0.00 C ATOM 362 O ALA A 28 5.732 9.059 -4.578 1.00 0.00 O ATOM 363 CB ALA A 28 4.990 6.062 -3.301 1.00 0.00 C ATOM 0 H ALA A 28 6.843 4.887 -4.413 1.00 0.00 H new ATOM 0 HA ALA A 28 5.031 6.773 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.191 6.736 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.563 5.100 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.685 5.920 -2.474 1.00 0.00 H new ATOM 369 N GLU A 29 7.331 8.073 -3.338 1.00 0.00 N ATOM 370 CA GLU A 29 7.940 9.332 -2.926 1.00 0.00 C ATOM 371 C GLU A 29 8.544 10.061 -4.122 1.00 0.00 C ATOM 372 O GLU A 29 8.467 11.284 -4.221 1.00 0.00 O ATOM 373 CB GLU A 29 9.018 9.080 -1.869 1.00 0.00 C ATOM 374 CG GLU A 29 8.458 8.781 -0.489 1.00 0.00 C ATOM 375 CD GLU A 29 9.389 9.220 0.626 1.00 0.00 C ATOM 376 OE1 GLU A 29 9.589 10.443 0.783 1.00 0.00 O ATOM 377 OE2 GLU A 29 9.917 8.342 1.339 1.00 0.00 O ATOM 0 H GLU A 29 7.788 7.241 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 29 7.160 9.961 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.640 8.244 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.666 9.954 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.497 9.283 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.271 7.711 -0.401 1.00 0.00 H new ATOM 384 N ASN A 30 9.149 9.299 -5.028 1.00 0.00 N ATOM 385 CA ASN A 30 9.769 9.871 -6.218 1.00 0.00 C ATOM 386 C ASN A 30 8.710 10.318 -7.222 1.00 0.00 C ATOM 387 O ASN A 30 8.962 11.181 -8.063 1.00 0.00 O ATOM 388 CB ASN A 30 10.708 8.854 -6.869 1.00 0.00 C ATOM 389 CG ASN A 30 12.112 8.916 -6.299 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.405 9.737 -5.430 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.988 8.046 -6.789 1.00 0.00 N ATOM 0 H ASN A 30 9.223 8.284 -4.961 1.00 0.00 H new ATOM 0 HA ASN A 30 10.346 10.744 -5.912 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.306 7.851 -6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.747 9.035 -7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.948 8.041 -6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.700 7.383 -7.509 1.00 0.00 H new ATOM 398 N LEU A 31 7.525 9.726 -7.125 1.00 0.00 N ATOM 399 CA LEU A 31 6.426 10.063 -8.025 1.00 0.00 C ATOM 400 C LEU A 31 5.764 11.371 -7.608 1.00 0.00 C ATOM 401 O LEU A 31 5.218 12.097 -8.441 1.00 0.00 O ATOM 402 CB LEU A 31 5.391 8.936 -8.042 1.00 0.00 C ATOM 403 CG LEU A 31 5.651 7.800 -9.031 1.00 0.00 C ATOM 404 CD1 LEU A 31 4.992 6.515 -8.554 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.151 8.175 -10.418 1.00 0.00 C ATOM 0 H LEU A 31 7.300 9.011 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 31 6.834 10.188 -9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.330 8.511 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.416 9.369 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 31 6.727 7.633 -9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.188 5.718 -9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.399 6.237 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.916 6.668 -8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.345 7.354 -11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.079 8.370 -10.378 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.670 9.069 -10.762 1.00 0.00 H new ATOM 417 N LEU A 32 5.815 11.669 -6.315 1.00 0.00 N ATOM 418 CA LEU A 32 5.221 12.893 -5.787 1.00 0.00 C ATOM 419 C LEU A 32 6.269 13.994 -5.658 1.00 0.00 C ATOM 420 O LEU A 32 5.940 15.180 -5.667 1.00 0.00 O ATOM 421 CB LEU A 32 4.577 12.625 -4.426 1.00 0.00 C ATOM 422 CG LEU A 32 3.622 11.432 -4.359 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.469 10.950 -2.924 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.267 11.801 -4.946 1.00 0.00 C ATOM 0 H LEU A 32 6.262 11.080 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 32 4.454 13.226 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.371 12.471 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.032 13.519 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 32 4.044 10.620 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.786 10.101 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.441 10.646 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.070 11.757 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.600 10.941 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.839 12.629 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.390 12.098 -5.988 1.00 0.00 H new ATOM 436 N GLU A 33 7.531 13.593 -5.540 1.00 0.00 N ATOM 437 CA GLU A 33 8.627 14.547 -5.411 1.00 0.00 C ATOM 438 C GLU A 33 8.568 15.596 -6.518 1.00 0.00 C ATOM 439 O GLU A 33 8.707 16.792 -6.263 1.00 0.00 O ATOM 440 CB GLU A 33 9.972 13.820 -5.452 1.00 0.00 C ATOM 441 CG GLU A 33 10.544 13.678 -6.852 1.00 0.00 C ATOM 442 CD GLU A 33 11.861 12.926 -6.871 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.663 13.110 -5.933 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.089 12.153 -7.825 1.00 0.00 O ATOM 0 H GLU A 33 7.820 12.615 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 33 8.525 15.052 -4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.686 14.359 -4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.853 12.829 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.824 13.158 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.689 14.668 -7.283 1.00 0.00 H new ATOM 451 N SER A 34 8.359 15.138 -7.748 1.00 0.00 N ATOM 452 CA SER A 34 8.287 16.035 -8.896 1.00 0.00 C ATOM 453 C SER A 34 6.863 16.544 -9.098 1.00 0.00 C ATOM 454 O SER A 34 6.525 17.068 -10.159 1.00 0.00 O ATOM 455 CB SER A 34 8.769 15.320 -10.160 1.00 0.00 C ATOM 456 OG SER A 34 9.296 16.243 -11.098 1.00 0.00 O ATOM 0 H SER A 34 8.237 14.151 -7.975 1.00 0.00 H new ATOM 0 HA SER A 34 8.936 16.889 -8.700 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.532 14.587 -9.898 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.941 14.772 -10.610 1.00 0.00 H new ATOM 0 HG SER A 34 8.635 16.944 -11.274 1.00 0.00 H new ATOM 462 N GLN A 35 6.034 16.387 -8.070 1.00 0.00 N ATOM 463 CA GLN A 35 4.647 16.831 -8.134 1.00 0.00 C ATOM 464 C GLN A 35 4.383 17.941 -7.124 1.00 0.00 C ATOM 465 O GLN A 35 5.054 18.052 -6.098 1.00 0.00 O ATOM 466 CB GLN A 35 3.702 15.656 -7.878 1.00 0.00 C ATOM 467 CG GLN A 35 3.757 14.584 -8.954 1.00 0.00 C ATOM 468 CD GLN A 35 3.405 15.118 -10.328 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.322 15.666 -10.535 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.321 14.960 -11.277 1.00 0.00 N ATOM 0 H GLN A 35 6.299 15.956 -7.184 1.00 0.00 H new ATOM 0 HA GLN A 35 4.464 17.225 -9.134 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.948 15.206 -6.916 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.681 16.031 -7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.758 14.153 -8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.070 13.778 -8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.205 14.500 -11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.140 15.299 -12.222 1.00 0.00 H new ATOM 479 N PRO A 36 3.383 18.785 -7.418 1.00 0.00 N ATOM 480 CA PRO A 36 3.008 19.902 -6.547 1.00 0.00 C ATOM 481 C PRO A 36 2.360 19.433 -5.249 1.00 0.00 C ATOM 482 O PRO A 36 1.708 18.389 -5.210 1.00 0.00 O ATOM 483 CB PRO A 36 2.002 20.689 -7.393 1.00 0.00 C ATOM 484 CG PRO A 36 1.431 19.684 -8.334 1.00 0.00 C ATOM 485 CD PRO A 36 2.541 18.712 -8.624 1.00 0.00 C ATOM 0 HA PRO A 36 3.875 20.486 -6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.226 21.136 -6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.488 21.503 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.574 19.177 -7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.081 20.161 -9.249 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.160 17.704 -8.787 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.096 18.992 -9.519 1.00 0.00 H new ATOM 493 N LEU A 37 2.543 20.210 -4.187 1.00 0.00 N ATOM 494 CA LEU A 37 1.976 19.875 -2.886 1.00 0.00 C ATOM 495 C LEU A 37 0.497 19.524 -3.010 1.00 0.00 C ATOM 496 O LEU A 37 -0.281 20.272 -3.604 1.00 0.00 O ATOM 497 CB LEU A 37 2.156 21.041 -1.913 1.00 0.00 C ATOM 498 CG LEU A 37 2.295 20.668 -0.436 1.00 0.00 C ATOM 499 CD1 LEU A 37 1.087 19.872 0.030 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.578 19.883 -0.204 1.00 0.00 C ATOM 0 H LEU A 37 3.080 21.077 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 37 2.506 19.004 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.042 21.602 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.303 21.711 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 37 2.344 21.587 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.204 19.616 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.185 20.470 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.004 18.958 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.661 19.626 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.559 18.970 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.434 20.490 -0.498 1.00 0.00 H new ATOM 512 N GLY A 38 0.114 18.384 -2.445 1.00 0.00 N ATOM 513 CA GLY A 38 -1.272 17.956 -2.502 1.00 0.00 C ATOM 514 C GLY A 38 -1.465 16.733 -3.376 1.00 0.00 C ATOM 515 O GLY A 38 -2.470 16.032 -3.260 1.00 0.00 O ATOM 0 H GLY A 38 0.739 17.748 -1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.623 17.737 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.886 18.772 -2.883 1.00 0.00 H new ATOM 519 N SER A 39 -0.501 16.477 -4.254 1.00 0.00 N ATOM 520 CA SER A 39 -0.572 15.334 -5.156 1.00 0.00 C ATOM 521 C SER A 39 -0.631 14.026 -4.371 1.00 0.00 C ATOM 522 O SER A 39 0.268 13.716 -3.590 1.00 0.00 O ATOM 523 CB SER A 39 0.634 15.323 -6.097 1.00 0.00 C ATOM 524 OG SER A 39 0.850 16.603 -6.664 1.00 0.00 O ATOM 0 H SER A 39 0.339 17.046 -4.360 1.00 0.00 H new ATOM 0 HA SER A 39 -1.483 15.425 -5.747 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.523 15.009 -5.550 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.474 14.593 -6.890 1.00 0.00 H new ATOM 0 HG SER A 39 1.593 17.044 -6.202 1.00 0.00 H new ATOM 530 N PHE A 40 -1.698 13.263 -4.586 1.00 0.00 N ATOM 531 CA PHE A 40 -1.877 11.989 -3.899 1.00 0.00 C ATOM 532 C PHE A 40 -1.727 10.821 -4.870 1.00 0.00 C ATOM 533 O PHE A 40 -1.698 11.010 -6.087 1.00 0.00 O ATOM 534 CB PHE A 40 -3.251 11.935 -3.228 1.00 0.00 C ATOM 535 CG PHE A 40 -4.384 11.751 -4.196 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.767 10.482 -4.601 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.066 12.846 -4.702 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.810 10.309 -5.492 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.109 12.679 -5.592 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.481 11.409 -5.988 1.00 0.00 C ATOM 0 H PHE A 40 -2.451 13.505 -5.230 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.104 11.906 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.263 11.117 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.409 12.856 -2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.245 9.618 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.779 13.841 -4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.099 9.315 -5.800 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.633 13.541 -5.978 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.296 11.277 -6.685 1.00 0.00 H new ATOM 550 N LEU A 41 -1.631 9.614 -4.324 1.00 0.00 N ATOM 551 CA LEU A 41 -1.484 8.415 -5.141 1.00 0.00 C ATOM 552 C LEU A 41 -1.736 7.158 -4.314 1.00 0.00 C ATOM 553 O LEU A 41 -1.888 7.226 -3.094 1.00 0.00 O ATOM 554 CB LEU A 41 -0.084 8.361 -5.756 1.00 0.00 C ATOM 555 CG LEU A 41 1.064 8.072 -4.789 1.00 0.00 C ATOM 556 CD1 LEU A 41 0.830 8.772 -3.459 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.223 6.573 -4.584 1.00 0.00 C ATOM 0 H LEU A 41 -1.652 9.440 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.224 8.457 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.080 7.596 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.112 9.314 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 41 1.986 8.459 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.657 8.555 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.766 9.848 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.101 8.415 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.045 6.385 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.301 6.162 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.437 6.096 -5.540 1.00 0.00 H new ATOM 569 N ILE A 42 -1.775 6.011 -4.985 1.00 0.00 N ATOM 570 CA ILE A 42 -2.005 4.740 -4.311 1.00 0.00 C ATOM 571 C ILE A 42 -1.136 3.637 -4.907 1.00 0.00 C ATOM 572 O ILE A 42 -0.975 3.550 -6.125 1.00 0.00 O ATOM 573 CB ILE A 42 -3.484 4.316 -4.396 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.384 5.418 -3.833 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.704 3.011 -3.648 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.826 4.991 -3.666 1.00 0.00 C ATOM 0 H ILE A 42 -1.650 5.937 -5.995 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.737 4.885 -3.264 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.744 4.159 -5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.993 5.737 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.344 6.283 -4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.753 2.724 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.085 2.230 -4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.432 3.142 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.407 5.821 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.233 4.699 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.878 4.145 -2.981 1.00 0.00 H new ATOM 588 N ARG A 43 -0.581 2.795 -4.042 1.00 0.00 N ATOM 589 CA ARG A 43 0.270 1.697 -4.484 1.00 0.00 C ATOM 590 C ARG A 43 -0.252 0.362 -3.962 1.00 0.00 C ATOM 591 O ARG A 43 -0.999 0.314 -2.985 1.00 0.00 O ATOM 592 CB ARG A 43 1.708 1.915 -4.009 1.00 0.00 C ATOM 593 CG ARG A 43 1.843 2.003 -2.497 1.00 0.00 C ATOM 594 CD ARG A 43 3.282 2.265 -2.081 1.00 0.00 C ATOM 595 NE ARG A 43 4.027 1.026 -1.875 1.00 0.00 N ATOM 596 CZ ARG A 43 5.185 0.965 -1.227 1.00 0.00 C ATOM 597 NH1 ARG A 43 5.728 2.065 -0.725 1.00 0.00 N ATOM 598 NH2 ARG A 43 5.803 -0.200 -1.080 1.00 0.00 N ATOM 0 H ARG A 43 -0.705 2.852 -3.031 1.00 0.00 H new ATOM 0 HA ARG A 43 0.254 1.674 -5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.330 1.098 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.094 2.832 -4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.203 2.800 -2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.496 1.074 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.777 2.863 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.293 2.851 -1.162 1.00 0.00 H new ATOM 0 HE ARG A 43 3.637 0.161 -2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.257 2.963 -0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.617 2.014 -0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.389 -1.049 -1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.692 -0.246 -0.582 1.00 0.00 H new ATOM 612 N VAL A 44 0.146 -0.722 -4.622 1.00 0.00 N ATOM 613 CA VAL A 44 -0.281 -2.058 -4.225 1.00 0.00 C ATOM 614 C VAL A 44 0.516 -2.556 -3.024 1.00 0.00 C ATOM 615 O VAL A 44 1.732 -2.728 -3.101 1.00 0.00 O ATOM 616 CB VAL A 44 -0.125 -3.064 -5.381 1.00 0.00 C ATOM 617 CG1 VAL A 44 -0.596 -4.446 -4.956 1.00 0.00 C ATOM 618 CG2 VAL A 44 -0.889 -2.586 -6.608 1.00 0.00 C ATOM 0 H VAL A 44 0.763 -0.700 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.334 -1.985 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 44 0.932 -3.131 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.478 -5.142 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.002 -4.788 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.646 -4.400 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.769 -3.308 -7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.947 -2.489 -6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.500 -1.619 -6.925 1.00 0.00 H new ATOM 628 N SER A 45 -0.179 -2.786 -1.914 1.00 0.00 N ATOM 629 CA SER A 45 0.464 -3.261 -0.695 1.00 0.00 C ATOM 630 C SER A 45 0.930 -4.705 -0.853 1.00 0.00 C ATOM 631 O SER A 45 0.346 -5.478 -1.613 1.00 0.00 O ATOM 632 CB SER A 45 -0.497 -3.150 0.490 1.00 0.00 C ATOM 633 OG SER A 45 0.192 -3.292 1.721 1.00 0.00 O ATOM 0 H SER A 45 -1.187 -2.651 -1.834 1.00 0.00 H new ATOM 0 HA SER A 45 1.336 -2.635 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.003 -2.185 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.268 -3.917 0.410 1.00 0.00 H new ATOM 0 HG SER A 45 -0.186 -4.044 2.222 1.00 0.00 H new ATOM 639 N HIS A 46 1.985 -5.063 -0.129 1.00 0.00 N ATOM 640 CA HIS A 46 2.531 -6.414 -0.187 1.00 0.00 C ATOM 641 C HIS A 46 2.619 -7.025 1.208 1.00 0.00 C ATOM 642 O HIS A 46 2.126 -8.127 1.447 1.00 0.00 O ATOM 643 CB HIS A 46 3.912 -6.402 -0.840 1.00 0.00 C ATOM 644 CG HIS A 46 3.983 -5.559 -2.077 1.00 0.00 C ATOM 645 ND1 HIS A 46 3.958 -5.903 -3.385 1.00 0.00 N flip ATOM 646 CD2 HIS A 46 4.095 -4.186 -2.045 1.00 0.00 C flip ATOM 647 CE1 HIS A 46 4.054 -4.744 -4.114 1.00 0.00 C flip ATOM 648 NE2 HIS A 46 4.135 -3.720 -3.282 1.00 0.00 N flip ATOM 0 H HIS A 46 2.479 -4.436 0.505 1.00 0.00 H new ATOM 0 HA HIS A 46 1.859 -7.025 -0.790 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.643 -6.036 -0.119 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.195 -7.424 -1.090 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.143 -3.584 -1.149 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.062 -4.679 -5.192 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.215 -2.739 -3.548 1.00 0.00 H new ATOM 656 N SER A 47 3.253 -6.302 2.126 1.00 0.00 N ATOM 657 CA SER A 47 3.411 -6.774 3.496 1.00 0.00 C ATOM 658 C SER A 47 2.073 -7.228 4.073 1.00 0.00 C ATOM 659 O SER A 47 1.975 -8.292 4.683 1.00 0.00 O ATOM 660 CB SER A 47 4.011 -5.673 4.372 1.00 0.00 C ATOM 661 OG SER A 47 4.468 -6.196 5.607 1.00 0.00 O ATOM 0 H SER A 47 3.666 -5.387 1.945 1.00 0.00 H new ATOM 0 HA SER A 47 4.089 -7.627 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.839 -5.197 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.263 -4.901 4.555 1.00 0.00 H new ATOM 0 HG SER A 47 4.848 -5.473 6.148 1.00 0.00 H new ATOM 667 N HIS A 48 1.043 -6.410 3.874 1.00 0.00 N ATOM 668 CA HIS A 48 -0.290 -6.725 4.373 1.00 0.00 C ATOM 669 C HIS A 48 -1.323 -6.645 3.252 1.00 0.00 C ATOM 670 O HIS A 48 -1.160 -5.885 2.298 1.00 0.00 O ATOM 671 CB HIS A 48 -0.673 -5.771 5.505 1.00 0.00 C ATOM 672 CG HIS A 48 -1.370 -4.533 5.035 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.700 -3.437 4.530 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.686 -4.219 4.991 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.574 -2.504 4.200 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.786 -2.953 4.470 1.00 0.00 N ATOM 0 H HIS A 48 1.107 -5.525 3.371 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.275 -7.745 4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.319 -6.296 6.209 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.227 -5.487 6.049 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.505 -4.848 5.307 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.338 -1.537 3.780 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.655 -2.442 4.316 1.00 0.00 H new ATOM 684 N VAL A 49 -2.386 -7.433 3.376 1.00 0.00 N ATOM 685 CA VAL A 49 -3.446 -7.450 2.374 1.00 0.00 C ATOM 686 C VAL A 49 -4.163 -6.106 2.310 1.00 0.00 C ATOM 687 O VAL A 49 -4.519 -5.531 3.337 1.00 0.00 O ATOM 688 CB VAL A 49 -4.476 -8.557 2.666 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.054 -8.393 4.064 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.580 -8.545 1.619 1.00 0.00 C ATOM 0 H VAL A 49 -2.536 -8.068 4.160 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.971 -7.651 1.414 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.971 -9.522 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.780 -9.184 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.251 -8.454 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.545 -7.423 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.300 -9.333 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.084 -7.579 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.148 -8.714 0.633 1.00 0.00 H new ATOM 700 N GLY A 50 -4.372 -5.611 1.094 1.00 0.00 N ATOM 701 CA GLY A 50 -5.046 -4.338 0.917 1.00 0.00 C ATOM 702 C GLY A 50 -4.261 -3.383 0.041 1.00 0.00 C ATOM 703 O GLY A 50 -3.644 -3.795 -0.941 1.00 0.00 O ATOM 0 H GLY A 50 -4.087 -6.069 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.027 -4.509 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.211 -3.879 1.892 1.00 0.00 H new ATOM 707 N TYR A 51 -4.286 -2.102 0.396 1.00 0.00 N ATOM 708 CA TYR A 51 -3.574 -1.085 -0.368 1.00 0.00 C ATOM 709 C TYR A 51 -2.916 -0.068 0.560 1.00 0.00 C ATOM 710 O TYR A 51 -2.950 -0.211 1.783 1.00 0.00 O ATOM 711 CB TYR A 51 -4.531 -0.372 -1.326 1.00 0.00 C ATOM 712 CG TYR A 51 -5.124 -1.283 -2.378 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.202 -2.108 -2.083 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.605 -1.319 -3.665 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.746 -2.941 -3.041 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.143 -2.148 -4.630 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.214 -2.958 -4.313 1.00 0.00 C ATOM 718 OH TYR A 51 -6.753 -3.786 -5.271 1.00 0.00 O ATOM 0 H TYR A 51 -4.791 -1.745 1.207 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.795 -1.581 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.339 0.079 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.999 0.441 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.622 -2.098 -1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.766 -0.688 -3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.584 -3.576 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.728 -2.162 -5.627 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.263 -3.675 -6.112 1.00 0.00 H new ATOM 728 N THR A 52 -2.316 0.961 -0.030 1.00 0.00 N ATOM 729 CA THR A 52 -1.648 2.002 0.741 1.00 0.00 C ATOM 730 C THR A 52 -1.762 3.356 0.051 1.00 0.00 C ATOM 731 O THR A 52 -1.248 3.547 -1.053 1.00 0.00 O ATOM 732 CB THR A 52 -0.160 1.673 0.960 1.00 0.00 C ATOM 733 OG1 THR A 52 -0.031 0.448 1.691 1.00 0.00 O ATOM 734 CG2 THR A 52 0.538 2.795 1.713 1.00 0.00 C ATOM 0 H THR A 52 -2.279 1.096 -1.040 1.00 0.00 H new ATOM 0 HA THR A 52 -2.148 2.047 1.709 1.00 0.00 H new ATOM 0 HB THR A 52 0.312 1.564 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.918 0.245 1.825 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.588 2.539 1.856 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.464 3.719 1.140 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.063 2.932 2.684 1.00 0.00 H new ATOM 742 N LEU A 53 -2.435 4.295 0.706 1.00 0.00 N ATOM 743 CA LEU A 53 -2.616 5.634 0.155 1.00 0.00 C ATOM 744 C LEU A 53 -1.497 6.565 0.611 1.00 0.00 C ATOM 745 O LEU A 53 -0.982 6.435 1.721 1.00 0.00 O ATOM 746 CB LEU A 53 -3.971 6.202 0.575 1.00 0.00 C ATOM 747 CG LEU A 53 -4.132 7.718 0.452 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.485 8.103 -0.976 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.191 8.223 1.420 1.00 0.00 C ATOM 0 H LEU A 53 -2.865 4.154 1.620 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.583 5.560 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.745 5.725 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.155 5.920 1.612 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.182 8.187 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.596 9.185 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.691 7.776 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.422 7.624 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.291 9.304 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.146 7.747 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.896 7.981 2.441 1.00 0.00 H new ATOM 761 N SER A 54 -1.127 7.505 -0.254 1.00 0.00 N ATOM 762 CA SER A 54 -0.069 8.458 0.059 1.00 0.00 C ATOM 763 C SER A 54 -0.251 9.751 -0.728 1.00 0.00 C ATOM 764 O SER A 54 -1.044 9.812 -1.670 1.00 0.00 O ATOM 765 CB SER A 54 1.301 7.849 -0.247 1.00 0.00 C ATOM 766 OG SER A 54 1.506 6.657 0.491 1.00 0.00 O ATOM 0 H SER A 54 -1.545 7.626 -1.177 1.00 0.00 H new ATOM 0 HA SER A 54 -0.126 8.691 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.378 7.638 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.084 8.568 -0.007 1.00 0.00 H new ATOM 0 HG SER A 54 2.400 6.671 0.893 1.00 0.00 H new ATOM 772 N TYR A 55 0.487 10.784 -0.338 1.00 0.00 N ATOM 773 CA TYR A 55 0.406 12.078 -1.005 1.00 0.00 C ATOM 774 C TYR A 55 1.441 13.048 -0.442 1.00 0.00 C ATOM 775 O TYR A 55 1.903 12.894 0.689 1.00 0.00 O ATOM 776 CB TYR A 55 -0.998 12.667 -0.853 1.00 0.00 C ATOM 777 CG TYR A 55 -1.370 12.980 0.579 1.00 0.00 C ATOM 778 CD1 TYR A 55 -0.957 14.161 1.183 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.137 12.095 1.328 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.294 14.450 2.491 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.480 12.378 2.636 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.057 13.556 3.213 1.00 0.00 C ATOM 783 OH TYR A 55 -2.396 13.841 4.515 1.00 0.00 O ATOM 0 H TYR A 55 1.149 10.750 0.437 1.00 0.00 H new ATOM 0 HA TYR A 55 0.616 11.926 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.067 13.579 -1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.724 11.965 -1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.362 14.865 0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.470 11.171 0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.962 15.371 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.077 11.679 3.204 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.641 13.631 5.103 1.00 0.00 H new ATOM 793 N LYS A 56 1.800 14.048 -1.240 1.00 0.00 N ATOM 794 CA LYS A 56 2.779 15.044 -0.823 1.00 0.00 C ATOM 795 C LYS A 56 2.179 16.000 0.203 1.00 0.00 C ATOM 796 O LYS A 56 1.109 16.567 -0.014 1.00 0.00 O ATOM 797 CB LYS A 56 3.282 15.832 -2.035 1.00 0.00 C ATOM 798 CG LYS A 56 4.698 16.358 -1.873 1.00 0.00 C ATOM 799 CD LYS A 56 5.726 15.352 -2.366 1.00 0.00 C ATOM 800 CE LYS A 56 7.069 15.546 -1.677 1.00 0.00 C ATOM 801 NZ LYS A 56 8.018 14.443 -1.995 1.00 0.00 N ATOM 0 H LYS A 56 1.427 14.190 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 56 3.617 14.522 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.239 15.193 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.610 16.671 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.806 17.291 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.885 16.586 -0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.364 14.340 -2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.850 15.455 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.502 16.498 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.920 15.598 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.991 14.809 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.926 13.690 -1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.800 14.058 -2.936 1.00 0.00 H new ATOM 815 N ALA A 57 2.875 16.175 1.321 1.00 0.00 N ATOM 816 CA ALA A 57 2.413 17.064 2.379 1.00 0.00 C ATOM 817 C ALA A 57 3.429 18.168 2.653 1.00 0.00 C ATOM 818 O ALA A 57 4.637 17.944 2.571 1.00 0.00 O ATOM 819 CB ALA A 57 2.135 16.273 3.650 1.00 0.00 C ATOM 0 H ALA A 57 3.762 15.712 1.518 1.00 0.00 H new ATOM 0 HA ALA A 57 1.487 17.533 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.791 16.950 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.366 15.526 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.049 15.776 3.977 1.00 0.00 H new ATOM 825 N GLN A 58 2.932 19.357 2.977 1.00 0.00 N ATOM 826 CA GLN A 58 3.799 20.495 3.261 1.00 0.00 C ATOM 827 C GLN A 58 5.076 20.045 3.962 1.00 0.00 C ATOM 828 O GLN A 58 6.180 20.262 3.462 1.00 0.00 O ATOM 829 CB GLN A 58 3.062 21.521 4.124 1.00 0.00 C ATOM 830 CG GLN A 58 2.305 22.563 3.318 1.00 0.00 C ATOM 831 CD GLN A 58 1.239 23.270 4.132 1.00 0.00 C ATOM 832 OE1 GLN A 58 1.519 23.820 5.198 1.00 0.00 O ATOM 833 NE2 GLN A 58 0.008 23.259 3.634 1.00 0.00 N ATOM 0 H GLN A 58 1.935 19.558 3.049 1.00 0.00 H new ATOM 0 HA GLN A 58 4.072 20.958 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.362 20.999 4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.782 22.025 4.769 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.009 23.300 2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.840 22.083 2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.179 22.791 2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.750 23.718 4.138 1.00 0.00 H new ATOM 842 N SER A 59 4.918 19.417 5.123 1.00 0.00 N ATOM 843 CA SER A 59 6.058 18.941 5.895 1.00 0.00 C ATOM 844 C SER A 59 6.800 17.837 5.146 1.00 0.00 C ATOM 845 O SER A 59 7.986 17.965 4.844 1.00 0.00 O ATOM 846 CB SER A 59 5.597 18.424 7.260 1.00 0.00 C ATOM 847 OG SER A 59 4.312 17.834 7.175 1.00 0.00 O ATOM 0 H SER A 59 4.011 19.226 5.549 1.00 0.00 H new ATOM 0 HA SER A 59 6.740 19.779 6.042 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.312 17.692 7.636 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.576 19.246 7.976 1.00 0.00 H new ATOM 0 HG SER A 59 4.041 17.510 8.060 1.00 0.00 H new ATOM 853 N SER A 60 6.091 16.753 4.849 1.00 0.00 N ATOM 854 CA SER A 60 6.680 15.625 4.138 1.00 0.00 C ATOM 855 C SER A 60 5.597 14.702 3.590 1.00 0.00 C ATOM 856 O SER A 60 4.413 14.877 3.878 1.00 0.00 O ATOM 857 CB SER A 60 7.613 14.842 5.065 1.00 0.00 C ATOM 858 OG SER A 60 6.897 14.273 6.148 1.00 0.00 O ATOM 0 H SER A 60 5.107 16.632 5.090 1.00 0.00 H new ATOM 0 HA SER A 60 7.256 16.017 3.300 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.113 14.054 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.391 15.504 5.447 1.00 0.00 H new ATOM 0 HG SER A 60 7.515 13.777 6.724 1.00 0.00 H new ATOM 864 N CYS A 61 6.011 13.718 2.799 1.00 0.00 N ATOM 865 CA CYS A 61 5.077 12.766 2.210 1.00 0.00 C ATOM 866 C CYS A 61 4.339 11.985 3.292 1.00 0.00 C ATOM 867 O CYS A 61 4.836 11.834 4.409 1.00 0.00 O ATOM 868 CB CYS A 61 5.818 11.800 1.283 1.00 0.00 C ATOM 869 SG CYS A 61 5.972 12.385 -0.421 1.00 0.00 S ATOM 0 H CYS A 61 6.988 13.559 2.551 1.00 0.00 H new ATOM 0 HA CYS A 61 4.344 13.327 1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.815 11.620 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.297 10.843 1.282 1.00 0.00 H new ATOM 0 HG CYS A 61 7.063 11.912 -0.945 1.00 0.00 H new ATOM 875 N CYS A 62 3.152 11.493 2.956 1.00 0.00 N ATOM 876 CA CYS A 62 2.344 10.730 3.901 1.00 0.00 C ATOM 877 C CYS A 62 2.257 9.266 3.483 1.00 0.00 C ATOM 878 O CYS A 62 2.536 8.952 2.327 1.00 0.00 O ATOM 879 CB CYS A 62 0.941 11.329 4.002 1.00 0.00 C ATOM 880 SG CYS A 62 0.918 13.116 4.278 1.00 0.00 S ATOM 0 H CYS A 62 2.727 11.609 2.036 1.00 0.00 H new ATOM 0 HA CYS A 62 2.824 10.782 4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.396 11.107 3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.407 10.840 4.816 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.189 13.613 3.812 1.00 0.00 H new ATOM 886 N HIS A 63 1.878 8.412 4.422 1.00 0.00 N ATOM 887 CA HIS A 63 1.761 6.991 4.138 1.00 0.00 C ATOM 888 C HIS A 63 0.708 6.370 5.058 1.00 0.00 C ATOM 889 O HIS A 63 0.921 6.170 6.254 1.00 0.00 O ATOM 890 CB HIS A 63 3.123 6.303 4.245 1.00 0.00 C ATOM 891 CG HIS A 63 4.139 6.792 3.241 1.00 0.00 C ATOM 892 ND1 HIS A 63 4.255 6.257 1.970 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.084 7.771 3.334 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.229 6.893 1.336 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.742 7.831 2.183 1.00 0.00 N ATOM 0 H HIS A 63 1.648 8.676 5.380 1.00 0.00 H new ATOM 0 HA HIS A 63 1.426 6.847 3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.518 6.456 5.250 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.987 5.229 4.116 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.266 8.392 4.198 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.559 6.702 0.326 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.505 8.472 1.967 1.00 0.00 H new ATOM 903 N PHE A 64 -0.442 6.064 4.467 1.00 0.00 N ATOM 904 CA PHE A 64 -1.546 5.466 5.208 1.00 0.00 C ATOM 905 C PHE A 64 -1.874 4.076 4.669 1.00 0.00 C ATOM 906 O PHE A 64 -1.789 3.831 3.466 1.00 0.00 O ATOM 907 CB PHE A 64 -2.786 6.360 5.131 1.00 0.00 C ATOM 908 CG PHE A 64 -2.488 7.817 5.347 1.00 0.00 C ATOM 909 CD1 PHE A 64 -2.039 8.608 4.303 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.657 8.393 6.596 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.765 9.948 4.498 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.384 9.734 6.797 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.937 10.511 5.747 1.00 0.00 C ATOM 0 H PHE A 64 -0.634 6.220 3.477 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.240 5.370 6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.255 6.234 4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.509 6.030 5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.901 8.172 3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.005 7.789 7.421 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.417 10.554 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.520 10.173 7.774 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.722 11.558 5.902 1.00 0.00 H new ATOM 923 N MET A 65 -2.247 3.173 5.569 1.00 0.00 N ATOM 924 CA MET A 65 -2.588 1.807 5.184 1.00 0.00 C ATOM 925 C MET A 65 -4.100 1.626 5.104 1.00 0.00 C ATOM 926 O MET A 65 -4.837 2.082 5.980 1.00 0.00 O ATOM 927 CB MET A 65 -1.994 0.810 6.180 1.00 0.00 C ATOM 928 CG MET A 65 -2.748 0.747 7.499 1.00 0.00 C ATOM 929 SD MET A 65 -2.228 -0.637 8.530 1.00 0.00 S ATOM 930 CE MET A 65 -3.077 -1.995 7.726 1.00 0.00 C ATOM 0 H MET A 65 -2.321 3.361 6.569 1.00 0.00 H new ATOM 0 HA MET A 65 -2.165 1.618 4.197 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.986 -0.182 5.728 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.956 1.080 6.376 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.597 1.678 8.044 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.816 0.665 7.299 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.717 -2.503 8.448 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.687 -1.610 6.909 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.345 -2.700 7.332 1.00 0.00 H new ATOM 940 N VAL A 66 -4.557 0.957 4.051 1.00 0.00 N ATOM 941 CA VAL A 66 -5.983 0.715 3.859 1.00 0.00 C ATOM 942 C VAL A 66 -6.295 -0.777 3.886 1.00 0.00 C ATOM 943 O VAL A 66 -6.027 -1.497 2.925 1.00 0.00 O ATOM 944 CB VAL A 66 -6.477 1.307 2.526 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.996 1.250 2.447 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.981 2.736 2.361 1.00 0.00 C ATOM 0 H VAL A 66 -3.961 0.573 3.318 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.502 1.207 4.682 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.071 0.709 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.327 1.673 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.325 0.213 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.425 1.823 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.340 3.138 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.356 3.348 3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.891 2.746 2.370 1.00 0.00 H new ATOM 956 N LYS A 67 -6.866 -1.236 4.996 1.00 0.00 N ATOM 957 CA LYS A 67 -7.217 -2.642 5.150 1.00 0.00 C ATOM 958 C LYS A 67 -8.407 -3.006 4.266 1.00 0.00 C ATOM 959 O LYS A 67 -9.058 -2.130 3.695 1.00 0.00 O ATOM 960 CB LYS A 67 -7.542 -2.950 6.613 1.00 0.00 C ATOM 961 CG LYS A 67 -6.465 -2.496 7.584 1.00 0.00 C ATOM 962 CD LYS A 67 -6.935 -2.598 9.025 1.00 0.00 C ATOM 963 CE LYS A 67 -7.936 -1.504 9.363 1.00 0.00 C ATOM 964 NZ LYS A 67 -8.433 -1.620 10.763 1.00 0.00 N ATOM 0 H LYS A 67 -7.095 -0.654 5.802 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.360 -3.241 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.484 -2.468 6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.691 -4.024 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.571 -3.105 7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.186 -1.466 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.391 -3.574 9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.078 -2.528 9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.469 -0.529 9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.778 -1.557 8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.113 -0.857 10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.901 -2.540 10.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.633 -1.544 11.423 1.00 0.00 H new ATOM 978 N LEU A 68 -8.685 -4.300 4.161 1.00 0.00 N ATOM 979 CA LEU A 68 -9.798 -4.779 3.349 1.00 0.00 C ATOM 980 C LEU A 68 -10.857 -5.451 4.217 1.00 0.00 C ATOM 981 O LEU A 68 -10.716 -6.614 4.597 1.00 0.00 O ATOM 982 CB LEU A 68 -9.296 -5.759 2.288 1.00 0.00 C ATOM 983 CG LEU A 68 -10.106 -5.819 0.992 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.612 -6.951 0.104 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.587 -5.985 1.296 1.00 0.00 C ATOM 0 H LEU A 68 -8.156 -5.036 4.628 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.251 -3.919 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.268 -5.498 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.274 -6.757 2.726 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.968 -4.879 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.201 -6.977 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.563 -6.788 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.718 -7.899 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.148 -6.026 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.743 -6.909 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.933 -5.140 1.891 1.00 0.00 H new ATOM 997 N LEU A 69 -11.918 -4.713 4.527 1.00 0.00 N ATOM 998 CA LEU A 69 -13.003 -5.238 5.349 1.00 0.00 C ATOM 999 C LEU A 69 -13.561 -6.526 4.754 1.00 0.00 C ATOM 1000 O LEU A 69 -13.181 -6.931 3.655 1.00 0.00 O ATOM 1001 CB LEU A 69 -14.117 -4.198 5.480 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.796 -2.975 6.340 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.887 -3.359 7.498 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -13.155 -1.884 5.496 1.00 0.00 C ATOM 0 H LEU A 69 -12.050 -3.749 4.221 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.603 -5.460 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.385 -3.854 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.997 -4.688 5.895 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.729 -2.589 6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.670 -2.476 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.383 -4.106 8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.956 -3.771 7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.933 -1.021 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.231 -2.260 5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.841 -1.588 4.702 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.465 -7.166 5.488 1.00 0.00 N ATOM 1017 CA ASP A 70 -15.080 -8.408 5.032 1.00 0.00 C ATOM 1018 C ASP A 70 -16.215 -8.125 4.053 1.00 0.00 C ATOM 1019 O ASP A 70 -16.597 -8.990 3.264 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.604 -9.210 6.224 1.00 0.00 C ATOM 1021 CG ASP A 70 -15.770 -10.681 5.904 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -16.550 -11.005 4.983 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -15.121 -11.511 6.573 1.00 0.00 O ATOM 0 H ASP A 70 -14.788 -6.846 6.401 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.319 -8.994 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.917 -9.099 7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.563 -8.800 6.541 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.751 -6.912 4.112 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.844 -6.516 3.231 1.00 0.00 C ATOM 1030 C ASP A 71 -17.310 -6.017 1.893 1.00 0.00 C ATOM 1031 O ASP A 71 -17.963 -5.234 1.204 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.692 -5.427 3.893 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.088 -5.784 5.311 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -18.200 -5.798 6.191 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -20.286 -6.049 5.544 1.00 0.00 O ATOM 0 H ASP A 71 -16.447 -6.185 4.760 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.467 -7.392 3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.135 -4.490 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.591 -5.259 3.299 1.00 0.00 H new ATOM 1040 N GLY A 72 -16.116 -6.476 1.530 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.512 -6.066 0.276 1.00 0.00 C ATOM 1042 C GLY A 72 -15.226 -4.579 0.229 1.00 0.00 C ATOM 1043 O GLY A 72 -15.034 -4.007 -0.846 1.00 0.00 O ATOM 0 H GLY A 72 -15.556 -7.125 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.583 -6.616 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.175 -6.331 -0.547 1.00 0.00 H new ATOM 1047 N THR A 73 -15.196 -3.946 1.399 1.00 0.00 N ATOM 1048 CA THR A 73 -14.933 -2.516 1.487 1.00 0.00 C ATOM 1049 C THR A 73 -13.553 -2.245 2.075 1.00 0.00 C ATOM 1050 O THR A 73 -12.873 -3.162 2.536 1.00 0.00 O ATOM 1051 CB THR A 73 -15.993 -1.802 2.347 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.968 -2.317 3.683 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.383 -1.983 1.755 1.00 0.00 C ATOM 0 H THR A 73 -15.351 -4.402 2.298 1.00 0.00 H new ATOM 0 HA THR A 73 -14.975 -2.124 0.471 1.00 0.00 H new ATOM 0 HB THR A 73 -15.758 -0.738 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.643 -1.857 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.114 -1.470 2.380 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.407 -1.564 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.624 -3.045 1.711 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.144 -0.980 2.055 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.843 -0.590 2.586 1.00 0.00 C ATOM 1063 C PHE A 74 -11.983 0.571 3.567 1.00 0.00 C ATOM 1064 O PHE A 74 -12.585 1.597 3.250 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.901 -0.198 1.446 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.892 -1.182 0.311 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -12.023 -1.374 -0.465 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.752 -1.915 0.020 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -12.018 -2.277 -1.511 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -9.742 -2.820 -1.023 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.876 -3.003 -1.790 1.00 0.00 C ATOM 0 H PHE A 74 -13.694 -0.209 1.677 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.423 -1.444 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.192 0.781 1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.889 -0.099 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.919 -0.811 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.862 -1.777 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.906 -2.415 -2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.847 -3.385 -1.239 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.870 -3.711 -2.605 1.00 0.00 H new ATOM 1081 N MET A 75 -11.423 0.401 4.760 1.00 0.00 N ATOM 1082 CA MET A 75 -11.484 1.434 5.787 1.00 0.00 C ATOM 1083 C MET A 75 -10.118 1.639 6.434 1.00 0.00 C ATOM 1084 O MET A 75 -9.477 0.682 6.869 1.00 0.00 O ATOM 1085 CB MET A 75 -12.515 1.061 6.854 1.00 0.00 C ATOM 1086 CG MET A 75 -12.358 1.840 8.150 1.00 0.00 C ATOM 1087 SD MET A 75 -13.904 1.989 9.064 1.00 0.00 S ATOM 1088 CE MET A 75 -13.604 3.489 9.996 1.00 0.00 C ATOM 0 H MET A 75 -10.922 -0.442 5.039 1.00 0.00 H new ATOM 0 HA MET A 75 -11.785 2.367 5.311 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.515 1.232 6.456 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.435 -0.005 7.068 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.616 1.347 8.778 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.976 2.836 7.926 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.555 3.919 10.310 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.003 3.257 10.875 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.071 4.205 9.371 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.678 2.891 6.492 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.388 3.221 7.086 1.00 0.00 C ATOM 1100 C ILE A 76 -8.458 3.179 8.609 1.00 0.00 C ATOM 1101 O ILE A 76 -9.422 3.633 9.224 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.905 4.615 6.644 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.746 4.664 5.123 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.592 4.963 7.330 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.325 6.022 4.603 1.00 0.00 C ATOM 0 H ILE A 76 -10.196 3.694 6.135 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.678 2.472 6.736 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.652 5.352 6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.007 3.922 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.691 4.382 4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.264 5.951 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.735 4.963 8.411 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.836 4.225 7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.232 5.983 3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.075 6.765 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.365 6.297 5.040 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.409 2.622 9.233 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.326 2.509 10.693 1.00 0.00 C ATOM 1119 C PRO A 77 -7.135 3.863 11.368 1.00 0.00 C ATOM 1120 O PRO A 77 -6.010 4.332 11.533 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.096 1.625 10.910 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.260 1.832 9.694 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.224 2.061 8.563 1.00 0.00 C ATOM 0 HA PRO A 77 -8.241 2.103 11.124 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.558 1.911 11.814 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.376 0.578 11.024 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.595 2.686 9.819 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.631 0.963 9.501 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.818 2.749 7.822 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.459 1.133 8.041 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.243 4.486 11.759 1.00 0.00 N ATOM 1132 CA GLY A 78 -8.175 5.779 12.413 1.00 0.00 C ATOM 1133 C GLY A 78 -9.288 6.710 11.974 1.00 0.00 C ATOM 1134 O GLY A 78 -9.537 7.733 12.611 1.00 0.00 O ATOM 0 H GLY A 78 -9.186 4.118 11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.227 5.640 13.493 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.212 6.242 12.197 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.959 6.355 10.883 1.00 0.00 N ATOM 1139 CA GLU A 79 -11.050 7.168 10.359 1.00 0.00 C ATOM 1140 C GLU A 79 -12.397 6.669 10.874 1.00 0.00 C ATOM 1141 O GLU A 79 -12.538 5.504 11.248 1.00 0.00 O ATOM 1142 CB GLU A 79 -11.039 7.152 8.828 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.689 7.503 8.226 1.00 0.00 C ATOM 1144 CD GLU A 79 -9.769 7.784 6.738 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -10.151 6.864 5.982 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.451 8.919 6.330 1.00 0.00 O ATOM 0 H GLU A 79 -9.766 5.510 10.345 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.905 8.191 10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.336 6.162 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.786 7.856 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.284 8.377 8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.993 6.682 8.400 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.384 7.557 10.891 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.720 7.209 11.359 1.00 0.00 C ATOM 1155 C LYS A 80 -15.654 6.936 10.184 1.00 0.00 C ATOM 1156 O LYS A 80 -16.874 7.027 10.315 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.289 8.335 12.225 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.374 8.748 13.365 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.575 7.568 13.894 1.00 0.00 C ATOM 1160 CE LYS A 80 -14.469 6.566 14.608 1.00 0.00 C ATOM 1161 NZ LYS A 80 -13.741 5.842 15.686 1.00 0.00 N ATOM 0 H LYS A 80 -13.284 8.525 10.586 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.643 6.302 11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.485 9.203 11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.247 8.017 12.636 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.692 9.526 13.022 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.968 9.178 14.172 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.061 7.075 13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.807 7.925 14.580 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.327 7.085 15.035 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.858 5.847 13.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.385 5.169 16.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.937 5.326 15.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.392 6.525 16.388 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.072 6.599 9.038 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.852 6.309 7.840 1.00 0.00 C ATOM 1177 C VAL A 81 -15.148 5.281 6.961 1.00 0.00 C ATOM 1178 O VAL A 81 -13.950 5.042 7.105 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.108 7.584 7.015 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.423 8.231 7.425 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.953 8.561 7.172 1.00 0.00 C ATOM 0 H VAL A 81 -14.063 6.520 8.913 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.807 5.904 8.175 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.179 7.307 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.587 9.130 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.241 7.531 7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.384 8.496 8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.151 9.456 6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.848 8.834 8.222 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.032 8.094 6.824 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.903 4.675 6.050 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.352 3.674 5.146 1.00 0.00 C ATOM 1193 C ALA A 82 -15.746 3.962 3.701 1.00 0.00 C ATOM 1194 O ALA A 82 -16.432 4.945 3.418 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.814 2.283 5.553 1.00 0.00 C ATOM 0 H ALA A 82 -16.897 4.860 5.919 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.265 3.719 5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.395 1.546 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.477 2.070 6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.902 2.235 5.515 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.308 3.100 2.789 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.616 3.262 1.373 1.00 0.00 C ATOM 1203 C HIS A 83 -15.612 1.915 0.658 1.00 0.00 C ATOM 1204 O HIS A 83 -14.866 1.007 1.025 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.607 4.205 0.716 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.152 5.316 1.611 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -13.032 5.448 2.359 1.00 0.00 N flip ATOM 1208 CD2 HIS A 83 -14.887 6.464 1.818 1.00 0.00 C flip ATOM 1209 CE1 HIS A 83 -13.108 6.662 2.995 1.00 0.00 C flip ATOM 1210 NE2 HIS A 83 -14.236 7.256 2.652 1.00 0.00 N flip ATOM 0 H HIS A 83 -14.739 2.282 3.006 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.614 3.693 1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.739 3.629 0.396 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.054 4.633 -0.182 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -15.845 6.682 1.369 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.365 7.066 3.667 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.551 8.170 2.976 1.00 0.00 H new ATOM 1218 N THR A 84 -16.452 1.790 -0.365 1.00 0.00 N ATOM 1219 CA THR A 84 -16.547 0.553 -1.130 1.00 0.00 C ATOM 1220 C THR A 84 -15.190 0.152 -1.697 1.00 0.00 C ATOM 1221 O THR A 84 -14.775 -1.001 -1.581 1.00 0.00 O ATOM 1222 CB THR A 84 -17.556 0.685 -2.286 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.324 1.903 -3.004 1.00 0.00 O ATOM 1224 CG2 THR A 84 -18.984 0.663 -1.765 1.00 0.00 C ATOM 0 H THR A 84 -17.077 2.531 -0.683 1.00 0.00 H new ATOM 0 HA THR A 84 -16.892 -0.219 -0.443 1.00 0.00 H new ATOM 0 HB THR A 84 -17.418 -0.164 -2.956 1.00 0.00 H new ATOM 0 HG1 THR A 84 -17.969 1.978 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.678 0.758 -2.600 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.167 -0.278 -1.246 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.132 1.493 -1.075 1.00 0.00 H new ATOM 1232 N SER A 85 -14.503 1.112 -2.310 1.00 0.00 N ATOM 1233 CA SER A 85 -13.193 0.856 -2.898 1.00 0.00 C ATOM 1234 C SER A 85 -12.312 2.099 -2.820 1.00 0.00 C ATOM 1235 O SER A 85 -12.736 3.146 -2.330 1.00 0.00 O ATOM 1236 CB SER A 85 -13.343 0.413 -4.355 1.00 0.00 C ATOM 1237 OG SER A 85 -13.893 -0.891 -4.437 1.00 0.00 O ATOM 0 H SER A 85 -14.831 2.072 -2.412 1.00 0.00 H new ATOM 0 HA SER A 85 -12.716 0.057 -2.330 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.984 1.116 -4.888 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.370 0.433 -4.846 1.00 0.00 H new ATOM 0 HG SER A 85 -14.128 -1.204 -3.539 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.082 1.976 -3.307 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.139 3.088 -3.293 1.00 0.00 C ATOM 1245 C LEU A 86 -10.750 4.328 -3.939 1.00 0.00 C ATOM 1246 O LEU A 86 -10.730 5.414 -3.361 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.852 2.699 -4.025 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.149 1.439 -3.523 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -7.111 0.968 -4.530 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.503 1.691 -2.168 1.00 0.00 C ATOM 0 H LEU A 86 -10.715 1.117 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.904 3.321 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.085 2.564 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.153 3.532 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.896 0.653 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.621 0.070 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.599 0.745 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.368 1.751 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.007 0.782 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.770 2.493 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.269 1.979 -1.448 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.292 4.157 -5.140 1.00 0.00 N ATOM 1263 CA ASP A 87 -11.912 5.261 -5.862 1.00 0.00 C ATOM 1264 C ASP A 87 -12.844 6.053 -4.950 1.00 0.00 C ATOM 1265 O ASP A 87 -12.689 7.263 -4.788 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.688 4.735 -7.072 1.00 0.00 C ATOM 1267 CG ASP A 87 -12.991 5.824 -8.082 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -12.034 6.383 -8.657 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -14.186 6.115 -8.299 1.00 0.00 O ATOM 0 H ASP A 87 -11.314 3.265 -5.634 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.121 5.926 -6.208 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.112 3.946 -7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.622 4.286 -6.734 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.812 5.361 -4.357 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.767 6.000 -3.461 1.00 0.00 C ATOM 1276 C ALA A 88 -14.104 6.404 -2.149 1.00 0.00 C ATOM 1277 O ALA A 88 -14.714 7.073 -1.313 1.00 0.00 O ATOM 1278 CB ALA A 88 -15.943 5.072 -3.196 1.00 0.00 C ATOM 0 H ALA A 88 -13.955 4.359 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.133 6.905 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.649 5.562 -2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.440 4.837 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.584 4.152 -2.736 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.852 5.994 -1.973 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.106 6.313 -0.761 1.00 0.00 C ATOM 1286 C LEU A 89 -11.185 7.508 -0.988 1.00 0.00 C ATOM 1287 O LEU A 89 -10.832 8.221 -0.048 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.287 5.103 -0.309 1.00 0.00 C ATOM 1289 CG LEU A 89 -9.959 5.411 0.382 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.619 4.327 1.392 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -8.844 5.554 -0.644 1.00 0.00 C ATOM 0 H LEU A 89 -12.333 5.440 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.822 6.571 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.898 4.510 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.084 4.481 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.060 6.357 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.670 4.563 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.405 4.272 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.538 3.367 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.906 5.773 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.744 4.624 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.083 6.367 -1.330 1.00 0.00 H new ATOM 1303 N VAL A 90 -10.800 7.723 -2.241 1.00 0.00 N ATOM 1304 CA VAL A 90 -9.924 8.834 -2.593 1.00 0.00 C ATOM 1305 C VAL A 90 -10.705 10.139 -2.696 1.00 0.00 C ATOM 1306 O VAL A 90 -10.315 11.157 -2.123 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.198 8.576 -3.927 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.347 9.777 -4.313 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.349 7.318 -3.835 1.00 0.00 C ATOM 0 H VAL A 90 -11.081 7.142 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.185 8.918 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.946 8.426 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.842 9.576 -5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.984 10.655 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.605 9.961 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.843 7.150 -4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.607 7.437 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.987 6.464 -3.608 1.00 0.00 H new ATOM 1319 N THR A 91 -11.812 10.103 -3.430 1.00 0.00 N ATOM 1320 CA THR A 91 -12.649 11.283 -3.611 1.00 0.00 C ATOM 1321 C THR A 91 -13.031 11.896 -2.268 1.00 0.00 C ATOM 1322 O THR A 91 -13.033 13.117 -2.110 1.00 0.00 O ATOM 1323 CB THR A 91 -13.933 10.948 -4.393 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.600 10.499 -5.711 1.00 0.00 O ATOM 1325 CG2 THR A 91 -14.846 12.161 -4.480 1.00 0.00 C ATOM 0 H THR A 91 -12.150 9.269 -3.909 1.00 0.00 H new ATOM 0 HA THR A 91 -12.062 12.002 -4.183 1.00 0.00 H new ATOM 0 HB THR A 91 -14.459 10.155 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.421 10.286 -6.201 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.746 11.900 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.121 12.482 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.326 12.972 -4.990 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.353 11.041 -1.303 1.00 0.00 N ATOM 1334 CA PHE A 92 -13.737 11.499 0.028 1.00 0.00 C ATOM 1335 C PHE A 92 -12.540 12.089 0.767 1.00 0.00 C ATOM 1336 O PHE A 92 -12.688 12.991 1.591 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.332 10.344 0.835 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.013 10.785 2.100 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.271 11.173 3.203 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.396 10.811 2.184 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -14.895 11.580 4.367 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.025 11.217 3.346 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.274 11.601 4.439 1.00 0.00 C ATOM 0 H PHE A 92 -13.356 10.027 -1.417 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.490 12.279 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.049 9.808 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.539 9.640 1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.192 11.157 3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -16.989 10.511 1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.305 11.881 5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.104 11.234 3.399 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.764 11.917 5.348 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.353 11.571 0.465 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.128 12.046 1.100 1.00 0.00 C ATOM 1355 C HIS A 93 -9.792 13.462 0.642 1.00 0.00 C ATOM 1356 O HIS A 93 -9.108 14.205 1.346 1.00 0.00 O ATOM 1357 CB HIS A 93 -8.966 11.105 0.781 1.00 0.00 C ATOM 1358 CG HIS A 93 -8.974 9.846 1.593 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.624 9.736 2.805 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.410 8.638 1.359 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.457 8.515 3.282 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.724 7.829 2.424 1.00 0.00 N ATOM 0 H HIS A 93 -11.214 10.823 -0.215 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.289 12.061 2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.000 10.845 -0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.026 11.631 0.950 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -10.151 10.481 3.261 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -7.823 8.362 0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.853 8.142 4.215 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.279 13.827 -0.539 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.028 15.154 -1.091 1.00 0.00 C ATOM 1372 C GLN A 94 -10.775 16.223 -0.298 1.00 0.00 C ATOM 1373 O GLN A 94 -10.424 17.402 -0.347 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.447 15.206 -2.560 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.361 14.746 -3.519 1.00 0.00 C ATOM 1376 CD GLN A 94 -9.902 14.409 -4.895 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -10.980 13.828 -5.026 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.154 14.773 -5.930 1.00 0.00 N ATOM 0 H GLN A 94 -10.849 13.224 -1.132 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.959 15.354 -1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.331 14.583 -2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.734 16.227 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.607 15.528 -3.611 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.862 13.870 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.267 15.253 -5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.466 14.573 -6.880 1.00 0.00 H new ATOM 1387 N GLN A 95 -11.804 15.802 0.429 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.600 16.723 1.232 1.00 0.00 C ATOM 1389 C GLN A 95 -12.382 16.477 2.721 1.00 0.00 C ATOM 1390 O GLN A 95 -12.571 17.374 3.544 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.083 16.579 0.889 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.365 16.559 -0.604 1.00 0.00 C ATOM 1393 CD GLN A 95 -15.837 16.723 -0.923 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.421 17.781 -0.690 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.447 15.673 -1.461 1.00 0.00 N ATOM 0 H GLN A 95 -12.106 14.829 0.479 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.278 17.739 1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.462 15.659 1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.634 17.403 1.343 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.802 17.358 -1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.009 15.618 -1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.925 14.815 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.438 15.725 -1.698 1.00 0.00 H new ATOM 1404 N LYS A 96 -11.985 15.257 3.061 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.741 14.890 4.452 1.00 0.00 C ATOM 1406 C LYS A 96 -10.345 14.301 4.622 1.00 0.00 C ATOM 1407 O LYS A 96 -10.005 13.270 4.041 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.792 13.886 4.929 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.026 14.537 5.532 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.870 14.745 7.029 1.00 0.00 C ATOM 1411 CE LYS A 96 -13.990 13.432 7.789 1.00 0.00 C ATOM 1412 NZ LYS A 96 -13.611 13.585 9.221 1.00 0.00 N ATOM 0 H LYS A 96 -11.825 14.504 2.392 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.811 15.794 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.095 13.262 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.341 13.225 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.206 15.496 5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.899 13.913 5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.901 15.199 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.630 15.442 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.014 13.065 7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.351 12.682 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.706 12.669 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.626 13.911 9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.237 14.282 9.673 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.516 14.967 5.439 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.143 14.526 5.706 1.00 0.00 C ATOM 1428 C PRO A 97 -8.098 13.249 6.540 1.00 0.00 C ATOM 1429 O PRO A 97 -9.127 12.617 6.783 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.539 15.695 6.487 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.706 16.369 7.123 1.00 0.00 C ATOM 1432 CD PRO A 97 -9.854 16.203 6.166 1.00 0.00 C ATOM 0 HA PRO A 97 -7.606 14.287 4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.827 15.346 7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.000 16.375 5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.936 15.921 8.090 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.497 17.424 7.302 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.805 16.113 6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.941 17.055 5.492 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.899 12.876 6.976 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.721 11.675 7.784 1.00 0.00 C ATOM 1442 C ILE A 98 -6.667 12.016 9.270 1.00 0.00 C ATOM 1443 O ILE A 98 -6.260 13.113 9.650 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.436 10.920 7.395 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.119 11.139 5.914 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.580 9.437 7.698 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.276 10.818 4.995 1.00 0.00 C ATOM 0 H ILE A 98 -6.038 13.387 6.784 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.581 11.034 7.591 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.609 11.312 7.986 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.823 12.177 5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.264 10.521 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.664 8.918 7.417 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.763 9.299 8.764 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.416 9.029 7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.980 10.996 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.558 9.772 5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.126 11.454 5.244 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.078 11.066 10.103 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.075 11.266 11.548 1.00 0.00 C ATOM 1461 C GLU A 99 -5.764 11.894 12.009 1.00 0.00 C ATOM 1462 O GLU A 99 -5.738 12.969 12.609 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.296 9.935 12.270 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.603 9.852 13.620 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.191 8.775 14.512 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.292 8.994 15.059 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.549 7.715 14.662 1.00 0.00 O ATOM 0 H GLU A 99 -7.417 10.152 9.804 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.890 11.946 11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.366 9.781 12.410 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.937 9.124 11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.542 9.654 13.468 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.678 10.816 14.123 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.647 11.210 11.720 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.310 11.682 12.094 1.00 0.00 C ATOM 1476 C PRO A 100 -2.882 12.907 11.294 1.00 0.00 C ATOM 1477 O PRO A 100 -2.456 13.913 11.862 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.409 10.488 11.768 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.140 9.740 10.708 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.603 9.923 11.006 1.00 0.00 C ATOM 0 HA PRO A 100 -3.265 11.995 13.137 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.430 10.815 11.418 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.242 9.866 12.648 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.892 10.124 9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.869 8.684 10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.199 9.949 10.094 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.993 9.110 11.618 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.001 12.817 9.974 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.626 13.918 9.096 1.00 0.00 C ATOM 1490 C ARG A 101 -3.854 14.712 8.662 1.00 0.00 C ATOM 1491 O ARG A 101 -4.726 14.193 7.964 1.00 0.00 O ATOM 1492 CB ARG A 101 -1.887 13.389 7.864 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.714 12.484 8.201 1.00 0.00 C ATOM 1494 CD ARG A 101 0.432 13.266 8.826 1.00 0.00 C ATOM 1495 NE ARG A 101 1.366 13.766 7.822 1.00 0.00 N ATOM 1496 CZ ARG A 101 2.339 13.032 7.293 1.00 0.00 C ATOM 1497 NH1 ARG A 101 2.503 11.772 7.671 1.00 0.00 N ATOM 1498 NH2 ARG A 101 3.149 13.558 6.384 1.00 0.00 N ATOM 0 H ARG A 101 -3.354 11.992 9.489 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.964 14.581 9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.590 12.841 7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.527 14.233 7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.041 11.704 8.888 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.365 11.986 7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.030 14.104 9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.965 12.627 9.530 1.00 0.00 H new ATOM 0 HE ARG A 101 1.266 14.732 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.881 11.364 8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.251 11.210 7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.025 14.527 6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.896 12.994 5.979 1.00 0.00 H new ATOM 1512 N ARG A 102 -3.919 15.971 9.082 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.042 16.835 8.740 1.00 0.00 C ATOM 1514 C ARG A 102 -4.868 17.423 7.344 1.00 0.00 C ATOM 1515 O ARG A 102 -5.629 18.298 6.930 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.178 17.961 9.766 1.00 0.00 C ATOM 1517 CG ARG A 102 -3.981 18.897 9.806 1.00 0.00 C ATOM 1518 CD ARG A 102 -4.126 20.028 8.800 1.00 0.00 C ATOM 1519 NE ARG A 102 -3.306 21.184 9.155 1.00 0.00 N ATOM 1520 CZ ARG A 102 -3.570 21.987 10.178 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -4.628 21.762 10.946 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -2.776 23.018 10.437 1.00 0.00 N ATOM 0 H ARG A 102 -3.206 16.416 9.660 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.950 16.231 8.751 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.074 18.540 9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.321 17.525 10.755 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.875 19.311 10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.071 18.335 9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.841 19.672 7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.172 20.329 8.741 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.485 21.385 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.241 20.970 10.751 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.829 22.381 11.732 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.961 23.194 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.980 23.634 11.224 1.00 0.00 H new ATOM 1536 N GLU A 103 -3.863 16.938 6.622 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.589 17.417 5.273 1.00 0.00 C ATOM 1538 C GLU A 103 -4.587 16.836 4.276 1.00 0.00 C ATOM 1539 O GLU A 103 -4.930 15.654 4.341 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.163 17.051 4.856 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.541 18.038 3.883 1.00 0.00 C ATOM 1542 CD GLU A 103 -0.984 19.267 4.575 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -1.578 19.701 5.584 1.00 0.00 O ATOM 1544 OE2 GLU A 103 0.048 19.794 4.109 1.00 0.00 O ATOM 0 H GLU A 103 -3.225 16.213 6.949 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.692 18.502 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.538 16.989 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.169 16.060 4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.742 17.543 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.291 18.345 3.154 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.052 17.673 3.356 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.012 17.244 2.345 1.00 0.00 C ATOM 1553 C LEU A 104 -5.318 16.988 1.010 1.00 0.00 C ATOM 1554 O LEU A 104 -4.117 17.218 0.868 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.105 18.299 2.170 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.334 18.146 3.066 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.387 19.184 2.709 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -8.907 16.742 2.951 1.00 0.00 C ATOM 0 H LEU A 104 -4.780 18.654 3.289 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.466 16.313 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.667 19.281 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.434 18.284 1.131 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.028 18.308 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.255 19.060 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.973 20.183 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.689 19.054 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.781 16.652 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.197 16.551 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.154 16.016 3.257 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.084 16.513 0.033 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.544 16.227 -1.292 1.00 0.00 C ATOM 1572 C LEU A 105 -6.019 17.263 -2.307 1.00 0.00 C ATOM 1573 O LEU A 105 -6.885 18.086 -2.013 1.00 0.00 O ATOM 1574 CB LEU A 105 -5.961 14.826 -1.742 1.00 0.00 C ATOM 1575 CG LEU A 105 -5.837 13.719 -0.694 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.411 12.415 -1.224 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.382 13.535 -0.283 1.00 0.00 C ATOM 0 H LEU A 105 -7.080 16.318 0.134 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.457 16.274 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.998 14.867 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.358 14.549 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.409 14.013 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.314 11.639 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.464 12.554 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.867 12.116 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.312 12.744 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.789 13.264 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.003 14.466 0.139 1.00 0.00 H new ATOM 1589 N THR A 106 -5.446 17.213 -3.506 1.00 0.00 N ATOM 1590 CA THR A 106 -5.809 18.145 -4.566 1.00 0.00 C ATOM 1591 C THR A 106 -6.120 17.408 -5.863 1.00 0.00 C ATOM 1592 O THR A 106 -7.225 17.510 -6.395 1.00 0.00 O ATOM 1593 CB THR A 106 -4.687 19.167 -4.825 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.692 18.595 -5.681 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.045 19.609 -3.519 1.00 0.00 C ATOM 0 H THR A 106 -4.728 16.537 -3.767 1.00 0.00 H new ATOM 0 HA THR A 106 -6.700 18.674 -4.230 1.00 0.00 H new ATOM 0 HB THR A 106 -5.125 20.039 -5.309 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.983 19.252 -5.842 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.255 20.331 -3.728 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.799 20.070 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.620 18.743 -3.011 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.139 16.666 -6.365 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.310 15.911 -7.602 1.00 0.00 C ATOM 1605 C GLN A 107 -4.487 14.627 -7.574 1.00 0.00 C ATOM 1606 O GLN A 107 -3.457 14.536 -6.905 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.904 16.765 -8.805 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.468 17.261 -8.742 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.193 18.379 -9.730 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -3.360 18.209 -10.939 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.770 19.528 -9.220 1.00 0.00 N ATOM 0 H GLN A 107 -4.219 16.571 -5.936 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.363 15.644 -7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.039 16.182 -9.716 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.573 17.623 -8.874 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.253 17.612 -7.733 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.791 16.430 -8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.646 19.624 -8.212 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.569 20.316 -9.836 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.949 13.611 -8.317 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.271 12.314 -8.394 1.00 0.00 C ATOM 1622 C PRO A 108 -2.949 12.395 -9.151 1.00 0.00 C ATOM 1623 O PRO A 108 -2.828 13.132 -10.129 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.269 11.436 -9.153 1.00 0.00 C ATOM 1625 CG PRO A 108 -6.079 12.393 -9.959 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.170 13.650 -9.140 1.00 0.00 C ATOM 0 HA PRO A 108 -4.010 11.931 -7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.757 10.715 -9.791 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.896 10.866 -8.467 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.608 12.588 -10.922 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.070 11.989 -10.165 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.201 14.539 -9.770 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.069 13.664 -8.524 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.964 11.632 -8.693 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.651 11.617 -9.328 1.00 0.00 C ATOM 1636 C CYS A 109 -0.689 10.841 -10.641 1.00 0.00 C ATOM 1637 O CYS A 109 -1.556 9.991 -10.844 1.00 0.00 O ATOM 1638 CB CYS A 109 0.387 11.001 -8.387 1.00 0.00 C ATOM 1639 SG CYS A 109 2.091 11.144 -8.972 1.00 0.00 S ATOM 0 H CYS A 109 -2.049 11.016 -7.885 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.369 12.647 -9.545 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.308 11.481 -7.412 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.151 9.947 -8.243 1.00 0.00 H new ATOM 0 HG CYS A 109 2.907 10.998 -7.971 1.00 0.00 H new ATOM 1645 N ARG A 110 0.254 11.140 -11.527 1.00 0.00 N ATOM 1646 CA ARG A 110 0.326 10.473 -12.820 1.00 0.00 C ATOM 1647 C ARG A 110 1.548 9.561 -12.895 1.00 0.00 C ATOM 1648 O ARG A 110 2.612 9.890 -12.371 1.00 0.00 O ATOM 1649 CB ARG A 110 0.377 11.505 -13.949 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.334 12.806 -13.616 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.846 12.648 -13.687 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.534 13.933 -13.614 1.00 0.00 N ATOM 1653 CZ ARG A 110 -3.837 14.083 -13.827 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -4.588 13.031 -14.125 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -4.391 15.285 -13.743 1.00 0.00 N ATOM 0 H ARG A 110 0.979 11.840 -11.373 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.570 9.862 -12.935 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.419 11.720 -14.186 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.071 11.074 -14.844 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.048 13.133 -12.616 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.015 13.584 -14.310 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.115 12.145 -14.616 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.183 12.010 -12.870 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.984 14.762 -13.387 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.165 12.105 -14.191 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.588 13.148 -14.288 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.817 16.096 -13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.391 15.398 -13.907 1.00 0.00 H new ATOM 1669 N GLN A 111 1.387 8.417 -13.550 1.00 0.00 N ATOM 1670 CA GLN A 111 2.476 7.458 -13.692 1.00 0.00 C ATOM 1671 C GLN A 111 3.788 8.167 -14.010 1.00 0.00 C ATOM 1672 O GLN A 111 3.792 9.295 -14.506 1.00 0.00 O ATOM 1673 CB GLN A 111 2.153 6.444 -14.790 1.00 0.00 C ATOM 1674 CG GLN A 111 0.833 5.718 -14.578 1.00 0.00 C ATOM 1675 CD GLN A 111 -0.337 6.434 -15.224 1.00 0.00 C ATOM 1676 OE1 GLN A 111 -0.169 7.168 -16.198 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -1.532 6.223 -14.684 1.00 0.00 N ATOM 0 H GLN A 111 0.513 8.131 -13.991 1.00 0.00 H new ATOM 0 HA GLN A 111 2.588 6.932 -12.744 1.00 0.00 H new ATOM 0 HB2 GLN A 111 2.125 6.958 -15.751 1.00 0.00 H new ATOM 0 HB3 GLN A 111 2.957 5.710 -14.844 1.00 0.00 H new ATOM 0 HG2 GLN A 111 0.907 4.710 -14.986 1.00 0.00 H new ATOM 0 HG3 GLN A 111 0.646 5.616 -13.509 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.625 5.606 -13.877 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.356 6.677 -15.077 1.00 0.00 H new ATOM 1686 N LYS A 112 4.900 7.501 -13.721 1.00 0.00 N ATOM 1687 CA LYS A 112 6.220 8.067 -13.976 1.00 0.00 C ATOM 1688 C LYS A 112 6.224 8.874 -15.270 1.00 0.00 C ATOM 1689 O LYS A 112 5.733 8.416 -16.301 1.00 0.00 O ATOM 1690 CB LYS A 112 7.269 6.954 -14.054 1.00 0.00 C ATOM 1691 CG LYS A 112 7.639 6.372 -12.701 1.00 0.00 C ATOM 1692 CD LYS A 112 6.758 5.188 -12.344 1.00 0.00 C ATOM 1693 CE LYS A 112 7.336 4.393 -11.182 1.00 0.00 C ATOM 1694 NZ LYS A 112 6.926 2.963 -11.231 1.00 0.00 N ATOM 0 H LYS A 112 4.914 6.568 -13.310 1.00 0.00 H new ATOM 0 HA LYS A 112 6.468 8.734 -13.150 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.892 6.155 -14.693 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.168 7.346 -14.530 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.683 6.060 -12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.544 7.141 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.760 5.541 -12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.650 4.538 -13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.424 4.460 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.006 4.833 -10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.340 2.455 -10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.889 2.897 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.262 2.536 -12.117 1.00 0.00 H new ATOM 1708 N ASP A 113 6.783 10.079 -15.208 1.00 0.00 N ATOM 1709 CA ASP A 113 6.853 10.950 -16.376 1.00 0.00 C ATOM 1710 C ASP A 113 7.417 10.200 -17.579 1.00 0.00 C ATOM 1711 O ASP A 113 6.740 10.039 -18.595 1.00 0.00 O ATOM 1712 CB ASP A 113 7.716 12.175 -16.073 1.00 0.00 C ATOM 1713 CG ASP A 113 7.019 13.162 -15.158 1.00 0.00 C ATOM 1714 OD1 ASP A 113 5.834 13.469 -15.407 1.00 0.00 O ATOM 1715 OD2 ASP A 113 7.657 13.628 -14.191 1.00 0.00 O ATOM 0 H ASP A 113 7.194 10.474 -14.362 1.00 0.00 H new ATOM 0 HA ASP A 113 5.842 11.278 -16.616 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.650 11.853 -15.612 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.977 12.672 -17.007 1.00 0.00 H new ATOM 1720 N SER A 114 8.659 9.746 -17.459 1.00 0.00 N ATOM 1721 CA SER A 114 9.316 9.019 -18.539 1.00 0.00 C ATOM 1722 C SER A 114 8.737 7.614 -18.678 1.00 0.00 C ATOM 1723 O SER A 114 7.983 7.331 -19.608 1.00 0.00 O ATOM 1724 CB SER A 114 10.823 8.938 -18.286 1.00 0.00 C ATOM 1725 OG SER A 114 11.481 10.102 -18.752 1.00 0.00 O ATOM 0 H SER A 114 9.232 9.869 -16.624 1.00 0.00 H new ATOM 0 HA SER A 114 9.139 9.561 -19.468 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.010 8.813 -17.219 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.232 8.060 -18.786 1.00 0.00 H new ATOM 0 HG SER A 114 12.442 10.026 -18.577 1.00 0.00 H new ATOM 1731 N GLY A 115 9.095 6.737 -17.744 1.00 0.00 N ATOM 1732 CA GLY A 115 8.602 5.373 -17.780 1.00 0.00 C ATOM 1733 C GLY A 115 9.562 4.428 -18.476 1.00 0.00 C ATOM 1734 O GLY A 115 9.446 4.162 -19.674 1.00 0.00 O ATOM 0 H GLY A 115 9.717 6.947 -16.964 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.429 5.025 -16.761 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.640 5.351 -18.292 1.00 0.00 H new ATOM 1738 N PRO A 116 10.537 3.905 -17.719 1.00 0.00 N ATOM 1739 CA PRO A 116 11.541 2.977 -18.250 1.00 0.00 C ATOM 1740 C PRO A 116 10.945 1.617 -18.598 1.00 0.00 C ATOM 1741 O PRO A 116 10.241 1.012 -17.790 1.00 0.00 O ATOM 1742 CB PRO A 116 12.544 2.844 -17.101 1.00 0.00 C ATOM 1743 CG PRO A 116 11.758 3.155 -15.874 1.00 0.00 C ATOM 1744 CD PRO A 116 10.735 4.177 -16.285 1.00 0.00 C ATOM 0 HA PRO A 116 11.982 3.340 -19.178 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.965 1.840 -17.057 1.00 0.00 H new ATOM 0 HB3 PRO A 116 13.379 3.535 -17.222 1.00 0.00 H new ATOM 0 HG2 PRO A 116 11.278 2.259 -15.481 1.00 0.00 H new ATOM 0 HG3 PRO A 116 12.403 3.544 -15.086 1.00 0.00 H new ATOM 0 HD2 PRO A 116 9.808 4.066 -15.723 1.00 0.00 H new ATOM 0 HD3 PRO A 116 11.091 5.193 -16.114 1.00 0.00 H new ATOM 1752 N SER A 117 11.234 1.141 -19.804 1.00 0.00 N ATOM 1753 CA SER A 117 10.725 -0.148 -20.260 1.00 0.00 C ATOM 1754 C SER A 117 11.860 -1.153 -20.423 1.00 0.00 C ATOM 1755 O SER A 117 12.845 -0.888 -21.111 1.00 0.00 O ATOM 1756 CB SER A 117 9.978 0.015 -21.585 1.00 0.00 C ATOM 1757 OG SER A 117 8.883 0.903 -21.448 1.00 0.00 O ATOM 0 H SER A 117 11.818 1.628 -20.484 1.00 0.00 H new ATOM 0 HA SER A 117 10.034 -0.526 -19.506 1.00 0.00 H new ATOM 0 HB2 SER A 117 10.661 0.390 -22.347 1.00 0.00 H new ATOM 0 HB3 SER A 117 9.621 -0.957 -21.927 1.00 0.00 H new ATOM 0 HG SER A 117 8.424 0.991 -22.309 1.00 0.00 H new ATOM 1763 N SER A 118 11.713 -2.310 -19.785 1.00 0.00 N ATOM 1764 CA SER A 118 12.727 -3.356 -19.855 1.00 0.00 C ATOM 1765 C SER A 118 12.589 -4.160 -21.144 1.00 0.00 C ATOM 1766 O SER A 118 11.600 -4.035 -21.864 1.00 0.00 O ATOM 1767 CB SER A 118 12.616 -4.287 -18.646 1.00 0.00 C ATOM 1768 OG SER A 118 13.223 -3.711 -17.502 1.00 0.00 O ATOM 0 H SER A 118 10.902 -2.547 -19.214 1.00 0.00 H new ATOM 0 HA SER A 118 13.707 -2.878 -19.847 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.566 -4.496 -18.439 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.092 -5.241 -18.873 1.00 0.00 H new ATOM 0 HG SER A 118 13.137 -4.324 -16.742 1.00 0.00 H new ATOM 1774 N GLY A 119 13.591 -4.987 -21.429 1.00 0.00 N ATOM 1775 CA GLY A 119 13.564 -5.800 -22.630 1.00 0.00 C ATOM 1776 C GLY A 119 14.653 -6.854 -22.643 1.00 0.00 C ATOM 1777 O GLY A 119 14.406 -8.008 -22.994 1.00 0.00 O ATOM 0 H GLY A 119 14.421 -5.108 -20.849 1.00 0.00 H new ATOM 0 HA2 GLY A 119 12.592 -6.286 -22.714 1.00 0.00 H new ATOM 0 HA3 GLY A 119 13.675 -5.157 -23.503 1.00 0.00 H new TER 1781 GLY A 119